Program PHONON v.4.3.2 starts on 16Sep2011 at 15:35:44 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote.php Parallel version (MPI), running on 2 processors R & G space division: proc/pool = 2 Ultrasoft (Vanderbilt) Pseudopotentials Info: using nr1, nr2, nr3 values from input Info: using nr1s, nr2s, nr3s values from input IMPORTANT: XC functional enforced from input : Exchange-correlation = SLA PZ NOGX NOGC ( 1 1 0 0 0) EXX-fraction = 0.00 Any further DFT definition will be discarded Please, verify this is what you really want ATT1.1.6 Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 248 248 72 4192 4192 682 Max 249 249 73 4193 4193 683 Sum 497 497 145 8385 8385 1365 IMPORTANT: XC functional enforced from input : Exchange-correlation = SLA PZ NOGX NOGC ( 1 1 0 0 0) EXX-fraction = 0.00 Any further DFT definition will be discarded Please, verify this is what you really want EXX fraction changed: 0.00 EXX Screening parameter changed: 0.0000000 Calculation of q = 0.0000000 0.0000000 0.0000000 bravais-lattice index = 8 lattice parameter (alat) = 10.2600 a.u. unit-cell volume = 1080.0456 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 1 kinetic-energy cut-off = 15.0000 Ry charge density cut-off = 60.0000 Ry convergence threshold = 1.0E-04 beta = 0.7000 number of iterations used = 4 Exchange-correlation = SLA PZ NOGX NOGC ( 1 1 0 0 0) EXX-fraction = 0.00 celldm(1)= 10.26000 celldm(2)= 1.00000 celldm(3)= 1.00000 celldm(4)= 0.00000 celldm(5)= 0.00000 celldm(6)= 0.00000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.0000 0.0000 0.0000 ) a(2) = ( 0.0000 1.0000 0.0000 ) a(3) = ( 0.0000 0.0000 1.0000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.0000 0.0000 0.0000 ) b(2) = ( 0.0000 1.0000 0.0000 ) b(3) = ( 0.0000 0.0000 1.0000 ) Atoms inside the unit cell: Cartesian axes site n. atom mass positions (alat units) 1 Si 1.0000 tau( 1) = ( 0.00000 0.00000 0.00000 ) 2 Si 1.0000 tau( 2) = ( 0.50000 0.50000 0.00000 ) 3 Si 1.0000 tau( 3) = ( 0.00000 0.50000 0.50000 ) 4 Si 1.0000 tau( 4) = ( 0.50000 0.00000 0.50000 ) 5 Si 1.0000 tau( 5) = ( 0.25000 0.25000 0.25000 ) 6 Si 1.0000 tau( 6) = ( 0.75000 0.75000 0.25000 ) 7 Si 1.0000 tau( 7) = ( 0.75000 0.25000 0.75000 ) 8 Si 1.0000 tau( 8) = ( 0.25000 0.75000 0.75000 ) Computing dynamical matrix for q = ( 0.0000000 0.0000000 0.0000000 ) 25 Sym.Ops. (with q -> -q+G ) G cutoff = 159.9876 ( 4192 G-vectors) FFT grid: ( 25, 25, 25) number of k points= 4 cart. coord. in units 2pi/alat k( 1) = ( 0.1250000 0.1250000 0.1250000), wk = 0.2500000 k( 2) = ( 0.1250000 0.1250000 0.3750000), wk = 0.7500000 k( 3) = ( 0.1250000 0.3750000 0.3750000), wk = 0.7500000 k( 4) = ( 0.3750000 0.3750000 0.3750000), wk = 0.2500000 PseudoPot. # 1 for Si read from file: ./Si.pz-vbc.UPF MD5 check sum: 6dfa03ddd5817404712e03e4d12deb78 Pseudo is Norm-conserving, Zval = 4.0 Generated by new atomic code, or converted to UPF format Using radial grid of 431 points, 2 beta functions with: l(1) = 0 l(2) = 1 Atomic displacements: There are 24 irreducible representations Representation 1 1 modes - To be done Representation 2 1 modes - To be done Representation 3 1 modes - To be done Representation 4 1 modes - To be done Representation 5 1 modes - To be done Representation 6 1 modes - To be done Representation 7 1 modes - To be done Representation 8 1 modes - To be done Representation 9 1 modes - To be done Representation 10 1 modes - To be done Representation 11 1 modes - To be done Representation 12 1 modes - To be done Representation 13 1 modes - To be done Representation 14 1 modes - To be done Representation 15 1 modes - To be done Representation 16 1 modes - To be done Representation 17 1 modes - To be done Representation 18 1 modes - To be done Representation 19 1 modes - To be done Representation 20 1 modes - To be done Representation 21 1 modes - To be done Representation 22 1 modes - To be done Representation 23 1 modes - To be done Representation 24 1 modes - To be done PHONON : 0.41s CPU 0.74s WALL Routine solve_head Freq 1 0. Freq 2 0.005154639175257732 Freq 3 0.015463917525773196 Freq 4 0.025773195876288662 Freq 5 0.03608247422680412 Freq 6 0.04639175257731958 Freq 7 0.05670103092783505 Freq 8 0.06701030927835051 Freq 9 0.07731958762886598 Freq 10 0.08762886597938145 Freq 11 0.0979381443298969 Freq 12 0.10824742268041238 Freq 13 0.11855670103092784 Freq 14 0.12886597938144329 Freq 15 0.13917525773195874 Freq 16 0.14948453608247422 Freq 17 0.15979381443298968 Freq 18 0.17010309278350513 Freq 19 0.18041237113402062 Freq 20 0.19072164948453607 Freq 21 0.20103092783505153 Freq 22 0.20618556701030927 Freq 23 0.211340206185567 Freq 24 0.22164948453608246 Freq 25 0.23195876288659792 Freq 26 0.2422680412371134 Freq 27 0.25257731958762886 Freq 28 0.26288659793814434 Freq 29 0.2731958762886598 Freq 30 0.28350515463917525 Freq 31 0.29381443298969073 Freq 32 0.3041237113402062 Freq 33 0.41237113402061853 Freq 34 0.6185567010309279 Freq 35 0.8247422680412371 Freq 36 1.0309278350515463 Freq 37 1.2371134020618557 Freq 38 1.443298969072165 Freq 39 1.6494845360824741 Freq 40 1.8556701030927834 Freq 41 2.0618556701030926 Freq 42 2.268041237113402 Freq 43 2.4742268041237114 Freq 44 2.6804123711340204 Freq 45 2.88659793814433 Freq 46 3.092783505154639 Freq 47 3.2989690721649483 Freq 48 3.5051546391752577 Freq 49 3.7113402061855667 Freq 50 3.917525773195876 Freq 51 4.123711340206185 Freq 52 4.329896907216495 Freq 53 4.536082474226804 Freq 54 4.742268041237113 Freq 55 4.948453608247423 Freq 56 5.154639175257731 Freq 57 5.360824742268041 Freq 58 5.56701030927835 Freq 59 5.77319587628866 Freq 60 5.979381443298969 Freq 61 6.185567010309278 Freq 62 6.391752577319587 Freq 63 6.597938144329897 Freq 64 6.804123711340206 Freq 65 7.010309278350515 Freq 66 7.216494845360824 Freq 67 7.422680412371133 Freq 68 7.628865979381443 Freq 69 7.835051546391752 Freq 70 8.041237113402062 Freq 71 8.24742268041237 Freq 72 8.45360824742268 Freq 73 8.65979381443299 Freq 74 8.865979381443298 Freq 75 9.072164948453608 Freq 76 9.278350515463917 Freq 77 9.484536082474227 Freq 78 9.690721649484535 Freq 79 9.896907216494846 Freq 80 10.103092783505154 Freq 81 10.309278350515463 Freq 82 10.515463917525773 Freq 83 10.721649484536082 Freq 84 10.927835051546392 Freq 85 11.1340206185567 Freq 86 11.340206185567009 Freq 87 11.54639175257732 Freq 88 11.752577319587628 Freq 89 11.958762886597938 Freq 90 12.164948453608247 Freq 91 12.371134020618555 Freq 92 12.577319587628866 Freq 93 12.783505154639174 Freq 94 12.989690721649485 Freq 95 13.195876288659793 Freq 96 13.402061855670102 Freq 97 13.608247422680412 Freq 98 13.81443298969072 Freq 99 14.02061855670103 Freq 100 14.22680412371134 Freq 101 14.432989690721648 Freq 102 14.639175257731958 Freq 103 14.845360824742267 Freq 104 15.051546391752577 Freq 105 15.257731958762886 Freq 106 15.463917525773194 Freq 107 15.670103092783505 Freq 108 15.876288659793813 Freq 109 16.082474226804123 Freq 110 16.288659793814432 Freq 111 16.49484536082474 Freq 112 16.70103092783505 Freq 113 16.90721649484536 Freq 114 17.11340206185567 Freq 115 17.31958762886598 Freq 116 17.525773195876287 Freq 117 17.731958762886595 Freq 118 17.938144329896907 Freq 119 18.144329896907216 Freq 120 18.350515463917525 Freq 121 18.556701030927833 Freq 122 18.76288659793814 Freq 123 18.969072164948454 Freq 124 19.175257731958762 Freq 125 19.38144329896907 Freq 126 19.58762886597938 Freq 127 19.79381443298969 Freq 128 20. ik: 1 ipol: 1 before lanczos_state_k Lanczos N1 1.7869124915815684 1.8883923019509363 1.3591953334688476 1.5477905436415782 1.4164823252269694 1.2943387867162692 1.3497667674333882 0.7125508878417742 0.6924979169503213 0.7460256460649055 0.5461996797899602 0.5641405864900643 0.5527642946596356 0.903322877682871 0.6908620497246275 0.6910274944237459 Lanczos alpha (0.6766937787468074,8.174812057768283E-18) (0.6862744263144461,-5.576971492323466E-17) (0.6498525356516635,-4.1293543238266595E-17) (0.6557240586235155,-4.113974082050433E-19) (0.6851241099106041,-4.980566543243967E-18) (0.6872958575842942,6.044724141278776E-17) (0.6855930134833788,2.408821015892976E-17) (0.8885766763430085,4.911723285311862E-17) (0.9020726323866534,2.684667917023671E-16) (0.8683859817700894,-2.4489718467673036E-17) (0.9571093720139426,-9.63642050596414E-17) (0.9394746344783489,-1.936413050197549E-16) (0.950474725394577,2.9320922796590177E-16) (0.9048645738272625,2.2035780304308293E-16) (0.9736343495612761,-2.3477428680368513E-16) (0.9737903205953025,-1.6191781818147463E-16) Lanczos beta 0.7362645786708523 0.7273427058730824 0.7600603146508205 0.7550006350608625 0.7284263545611207 0.7263775906148741 0.7279850409608557 0.45872812237665817 0.43158425121755106 0.49588888540196036 0.2897268541282938 0.3426184629756171 0.3108018603324396 0.42569954549236605 0.22811434271959327 0.22744760169079925 Lanczos Diagonal 1 (1.2091925662182041,1.4607673782357772E-17) (1.2959553436779951,-1.0531510034303459E-16) (0.8832765339006389,-5.612599127184604E-17) (1.014923497175753,-6.367570180984203E-19) (0.9704661922752302,-7.054884478121864E-18) (0.8895936864207732,7.823920911057314E-17) (0.9253906655843754,3.2513465559474725E-17) (0.6331560996437036,3.4998527877820834E-17) (0.6246834188656504,1.8591269402422502E-16) (0.6478382130837382,-1.8269958041793424E-17) (0.5227728325179853,-5.263409794679019E-17) (0.5299957712871545,-1.0924091938254596E-16) (0.5253884911745442,1.62075592084268E-16) (0.8173848707429274,1.9905424476475298E-16) (0.6726470224202077,-1.6219664500383146E-16) (0.6729158853350681,-1.1188966420050406E-16) ATTENZIONE1 lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat after lanczos_state_k ipol: 2 before lanczos_state_k Lanczos N1 1.7869124266727687 1.7417330550870829 1.4147375697108397 1.5477905180993752 1.8605524375014053 1.1513374848644584 1.3497667199419692 0.7125508887130615 0.7043879455396213 0.7223056529016878 0.5482145287925189 0.5592010945259516 0.5527642924000503 0.9033227787626741 0.690987636834781 0.6908876783919747 Lanczos alpha (0.6766937785129429,-1.2482829664079715E-18) (0.670662969509796,6.061459931257578E-17) (0.6504898256834962,-4.3832777870741823E-17) (0.6557240497347391,2.5890227715733315E-18) (0.7126393992095883,-1.6411227625890744E-18) (0.6984675413322231,-2.172800454253418E-17) (0.685593011626298,-4.457131112504227E-17) (0.8885766750022271,-1.4500874225393391E-16) (0.8939361833471826,2.0646668684313353E-16) (0.8824033368885935,-1.8826071130811452E-16) (0.9550501497780017,-9.585634860809234E-17) (0.9441753054917253,2.5397590212748334E-18) (0.9504747280819777,-2.9844739845681277E-16) (0.9048645945475648,2.3564374171404213E-17) (0.9737526965584653,1.1422768505454072E-16) (0.9736584847567001,8.662473191082898E-17) Lanczos beta 0.7362645788857938 0.7417622134675662 0.7595149680435889 0.7550006427808343 0.701530531548126 0.715641735580953 0.7279850427097962 0.45872812497380955 0.448194266030563 0.47049373114620363 0.2964442804457782 0.32944345872942593 0.31080185211399836 0.42569950144940105 0.22760862449634203 0.22801130467870626 Lanczos Diagonal 1 (1.209192521876928,-2.2305723446783505E-18) (1.1681158628180721,1.0557445124357201E-16) (0.9202723951090972,-6.201187763852837E-17) (1.0149234666691522,4.007264896984567E-18) (1.3259029712589365,-3.0533949561741425E-18) (0.8041718622969038,-2.501626610112483E-17) (0.9253906305179647,-6.01608724207613E-17) (0.6331560994625341,-1.0332610816420388E-16) (0.6296778716314522,1.4543264536780718E-16) (0.6373649183739435,-1.3598177599714382E-16) (0.5235723678337718,-5.254984298395676E-17) (0.5279838642553475,1.4202360245290464E-18) (0.5253884905123647,-1.6497106502661597E-16) (0.8173847999506667,2.128623595631624E-17) (0.6728510746564296,7.892991815694472E-17) (0.6726886500802045,5.984795992119984E-17) ATTENZIONE1 lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat after lanczos_state_k ipol: 3 before lanczos_state_k Lanczos N1 1.786912337270756 1.274192383436327 2.338188032798992 1.54779072670112 1.122983513989408 2.11341116806226 1.349766735970578 0.712550907089301 0.7640255394875354 0.6871875647900851 0.5771557084060542 0.5432795370201812 0.5527642918361774 0.9033228246487335 0.6909667856073906 0.6909035112360036 Lanczos alpha (0.6766937754828398,-4.461266754716603E-17) (0.6510209810378169,7.44592448972633E-17) (0.7494918650140828,-4.563772450082706E-17) (0.6557240338845773,-6.693531322158527E-18) (0.7020773464835699,4.866383380788325E-17) (0.743506675447728,-5.094522344714396E-17) (0.685593008937564,6.593501980122578E-17) (0.8885766627682412,5.809126896053347E-17) (0.8586252377274443,-8.132992324956462E-17) (0.9058375090554602,2.2477349893777297E-17) (0.9276208895728363,1.1715890592788444E-16) (0.9601305530865974,-4.5113628292277093E-17) (0.9504747277590297,-4.8950611069324685E-17) (0.9048645819415521,-1.1152510607152602E-16) (0.9737330617294281,1.475330179763198E-16) (0.9736734148999875,1.0725351536429375E-16) Lanczos beta 0.736264581670734 0.7590597356259636 0.6620135529411106 0.7550006565468269 0.7121006948140048 0.6687285126003418 0.7279850452419598 0.45872814867157863 0.5126038442476714 0.4236253146215392 0.3735230718819092 0.2795520005824021 0.31080185310161845 0.4256995282446742 0.2276926096627503 0.227947540274062 Lanczos Diagonal 1 (1.2091924559646134,-7.971892603858965E-17) (0.8295259754956318,9.487540272451308E-17) (1.752452909456126,-1.0670958127201118E-16) (1.0149235789215998,-1.0360185709320456E-17) (0.7884212856464785,5.464868309377329E-17) (1.5713353114200703,-1.0766820419262133E-16) (0.9253906378779032,8.899689646325596E-17) (0.6331561070738942,4.1392986391796686E-17) (0.6560116104723239,-6.213813848722846E-17) (0.6224802719433384,1.54461553364395E-17) (0.5353816916536646,6.761893134688641E-17) (0.5216192823598171,-2.4509311091928844E-17) (0.5253884897979035,-2.7058149862683404E-17) (0.8173848300840382,-1.007431738357805E-16) (0.6728172037028257,1.0194041520205505E-16) (0.6727143811515515,7.410183035759521E-17) ATTENZIONE1 lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat after lanczos_state_k ik: 2 ipol: 1 before lanczos_state_k Lanczos N1 2.146388628327507 2.4843905579786587 1.7180896760365314 1.7180938511481427 1.7118327793040986 1.7118351287860893 1.5767479950112613 1.007012118237846 1.007012907040707 1.0783455522126453 0.7672153805891797 0.7672153571534824 0.72529402129952 0.592951624441818 0.6714128367165224 0.7687929608857665 Lanczos alpha (0.7192799815361455,-4.8300098383640396E-17) (0.7692121762672559,5.373091118971021E-17) (0.6945869659781317,-3.156456797190713E-17) (0.6945865203511818,3.4073259459974756E-17) (0.7360500328774741,-6.347727896273406E-17) (0.736049941273502,2.1592473274761593E-17) (0.7327917171704749,-1.0202852946866054E-16) (0.8466999321409533,-3.789047166736956E-17) (0.846699677342575,6.249431905845233E-17) (0.81495182705725,-2.7509438332145886E-16) (0.8966916027827633,1.51486768670208E-17) (0.8966914731016941,-1.4405657163505209E-18) (0.916842758116885,1.5508737448656852E-16) (0.9594975913673683,4.867430468171911E-16) (0.961075922823254,2.737158213169714E-16) (0.9413428269184885,3.156500410039638E-17) Lanczos beta 0.6947203093053795 0.6389934490135177 0.7194087479960843 0.719409178247288 0.6769271372171972 0.6769272368218572 0.6804530103147074 0.5320706954085193 0.532071100876546 0.5795287047041328 0.4426558138089666 0.44265607650490024 0.3992484901519707 0.2817168297426038 0.2762844016035539 0.33745174797163185 Lanczos Diagonal 1 (1.5438543729528018,-1.0367078191774554E-16) (1.9110234678005864,1.334885684313059E-16) (1.1933626953565657,-5.4230758361086995E-17) (1.1933648297057498,5.854105756675791E-17) (1.2599945734875195,-1.0866248686943865E-16) (1.2599961460129188,3.6962754269111704E-17) (1.1554278708094055,-1.608732792736579E-16) (0.8526370921771018,-3.815616413478891E-17) (0.8526375034711751,6.293258590858154E-17) (0.8787996779747544,-2.9664680469337566E-16) (0.6879555893000993,1.1622297887953865E-17) (0.6879554687921985,-1.105224140572927E-18) (0.6649805709339387,1.1248394549414788E-16) (0.5689356554492928,2.886150802960134E-16) (0.6452787116427106,1.8377631604462053E-16) (0.7236977391152424,2.4266952962715095E-17) ATTENZIONE1 lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat after lanczos_state_k ipol: 2 before lanczos_state_k Lanczos N1 2.1463886220897077 2.484390533518875 1.7180896837226043 1.7180938349385535 1.711832778504246 1.711835136478162 1.5767481173531013 1.0070121221623665 1.007012912323955 1.0783455202028893 0.7672153813925323 0.7672153604336968 0.7252940093975736 0.5929516185213263 0.6714128472455602 0.7687929693666317 Lanczos alpha (0.7192799809844854,2.5827078784333075E-18) (0.7692121761229083,3.553347403994614E-17) (0.6945869661657543,-2.84765893609978E-17) (0.6945865192405968,7.340905370400766E-17) (0.7360500330860689,9.872750355179282E-18) (0.736049942917822,-7.393464766526491E-19) (0.7327917166630219,-7.03062296808674E-17) (0.846699932777321,-6.467113593501418E-17) (0.8466996736272007,3.3350006233238044E-17) (0.8149518359603833,8.748935180443597E-17) (0.8966916020713356,-1.5441410114753826E-16) (0.8966914719251853,-1.0683681509602386E-16) (0.9168427640483598,-3.1118887355309967E-16) (0.9594975933974665,1.9088242601700806E-17) (0.9610759199123834,1.3494530061956104E-16) (0.9413428239526207,1.00383914020993E-16) Lanczos beta 0.6947203098765415 0.6389934491872822 0.7194087478149366 0.7194091793195522 0.6769271369903838 0.6769272350339217 0.680453010861192 0.5320706943958461 0.5320711067889238 0.5795286921842593 0.4426558152501111 0.4426560788881689 0.39924847653079926 0.2817168228282943 0.2762844117292319 0.3374517562451025 Lanczos Diagonal 1 (1.5438543672820009,5.543494804450699E-18) (1.911023448627207,8.827902652788089E-17) (1.193362701017564,-4.8925334408735183E-17) (1.1933648165386983,1.2612364259752875E-16) (1.2599945732558675,1.6900497671985332E-17) (1.2599961544894733,-1.2656392767653357E-18) (1.155427959660367,-1.1085521528750239E-16) (0.8526370961408231,-6.512461784056951E-17) (0.8526375042030696,3.3583886902955096E-17) (0.8787996614889994,9.43437505837681E-17) (0.6879555894746405,-1.1846887350429363E-16) (0.6879554708309031,-8.196684560148416E-17) (0.6649805643237885,-2.257034257792422E-16) (0.5689356509723452,1.1318404345406224E-17) (0.6452787198075193,9.060400851138752E-17) (0.7236977448185057,7.717444733684386E-17) ATTENZIONE1 lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat after lanczos_state_k ipol: 3 before lanczos_state_k Lanczos N1 1.629485741463342 1.3439322140347953 2.611944333278177 2.6119453913812896 2.3356016674184246 2.3355809946614725 1.0178148383335175 1.0017053214302785 1.0017068104171114 1.1884240530111454 0.7406457325318184 0.7406459619249778 0.9087330668828488 1.249365427211587 0.9244380150997896 0.8482930788614433 Lanczos alpha (0.6563342583834856,-1.737078495939828E-17) (0.6421310812447882,9.364537753081967E-17) (0.7905463327228007,-2.115722282668157E-18) (0.7905506846839574,-9.259071161393533E-17) (0.7686648954156154,7.821182463756929E-17) (0.7686658257570036,-9.15658451202737E-17) (0.7956016472455064,7.277012260293821E-17) (0.8589398794150117,-1.4230542464541956E-17) (0.8589399231091767,2.1442317921092005E-17) (0.850100366951158,9.133725265901055E-18) (0.9217207610836478,-1.7888817209235417E-16) (0.9217202774152276,-6.585393813464627E-17) (0.8679931523753264,-8.069370122857455E-17) (0.8404204765546731,-3.1199534663001516E-17) (0.894700345427219,1.0514269671615234E-16) (0.9410296427575303,-6.11267999825651E-17) Lanczos beta 0.7544702388247001 0.7665948568177318 0.6124022336818602 0.6123966157203391 0.6396516853379676 0.6396505673516621 0.6058201209106854 0.5120764430732242 0.5120763697820846 0.5266207042165234 0.3878541460231951 0.38785529544096636 0.49657616478194444 0.5419348877749197 0.4466668690337518 0.33832412188851707 Lanczos Diagonal 1 (1.0694873156698066,-2.8305446409365376E-17) (0.8629806457178653,1.2585303955911876E-16) (2.0648630139491635,-5.526148827005462E-18) (2.0648752175135856,-2.4184188248473244E-16) (1.7952950114187203,1.8267166803534425E-16) (1.7952812938838245,-2.1385944762302719E-16) (0.8097751619690653,7.406651057261981E-17) (0.860404647998699,-1.4254810113571226E-17) (0.8604059707176123,2.147891589268674E-17) (1.0102797235583572,1.0854738799592435E-17) (0.6826685482825835,-1.3249276126061965E-16) (0.6826684014919586,-4.877445335628306E-17) (0.7887740793913423,-7.332903459557086E-17) (1.0499922877280947,-3.897961995304361E-17) (0.8270950114358344,9.719790585451905E-17) (0.7982689329546695,-5.1853441358157776E-17) ATTENZIONE1 lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat after lanczos_state_k ik: 3 ipol: 1 before lanczos_state_k Lanczos N1 1.8691750874657553 2.0423168760345445 2.042323525707613 1.4474333408882594 1.7746397145014845 1.6469372860179134 1.646950276463917 1.3515513570318543 0.8787412751347372 0.9021380002790702 0.9021383171645313 0.8629042078629028 0.7366895160861937 0.7366896299309067 1.0540343041646165 0.7663866305951357 Lanczos alpha (0.6888765611774379,2.560012699497436E-17) (0.7135857162507007,2.3475388642947586E-18) (0.7135904027991217,1.5420649633570624E-17) (0.6609226083053207,-2.844103811810669E-17) (0.7633991762090718,-1.5575426940209818E-17) (0.7554587391286969,1.8755049606779028E-16) (0.7554572233724643,1.5874888241203394E-16) (0.7756977566766592,-1.3618783896365627E-17) (0.8611199655843058,7.00108392197371E-17) (0.8910940278423157,-9.03368082143487E-17) (0.8910938024079835,2.3587830769238592E-17) (0.9258454036849381,-1.309807281441603E-16) (0.9324582202922098,-5.262811960946888E-17) (0.9324581017346985,6.549596676617001E-17) (0.8770143890051332,-2.834726722894075E-18) (0.954086825180095,-3.406984163150092E-17) Lanczos beta 0.7248786680958056 0.7005679307269024 0.7005631570622215 0.7504540664363768 0.6459270065288419 0.6551962251677584 0.6551979728710765 0.6311045795165785 0.5084018143870901 0.4538187232185963 0.4538191658690507 0.3779024854052657 0.3612778257926786 0.36127813178951523 0.4804641104993731 0.299530182148253 Lanczos Diagonal 1 (1.2876309064919462,4.7851119614965644E-17) (1.457368150796004,4.7944182396961535E-18) (1.457382467355818,3.149395552833577E-17) (0.9566414190079527,-4.1166506821621504E-17) (1.3547584961183357,-2.764077121841268E-17) (1.244193165519131,3.0888390498519987E-16) (1.2442004828899433,2.6145151577683715E-16) (1.0483953556829038,-1.8406485856256526E-17) (0.7567016566015339,6.152141412920485E-17) (0.8038897843382888,-8.149626751408642E-17) (0.8038898633400816,2.1279485955722654E-17) (0.7989158946702609,-1.1302382146454286E-16) (0.6869321950776615,-3.877058396762595E-17) (0.6869322138930107,4.825019951893675E-17) (0.9244032512573819,-2.9878992088625E-18) (0.7311993872449832,-2.611067113287587E-17) ATTENZIONE1 lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat after lanczos_state_k ipol: 2 before lanczos_state_k Lanczos N1 1.9874126166647303 1.9634132723519415 1.9634178297620521 2.223090075446986 2.03333499363074 1.661324258351558 1.6613239110931555 1.464707866791008 1.2204309201779187 0.9607694732175923 0.9607692602869354 0.8695926019475815 0.7697945476372672 0.7697950308981799 0.6190389750347136 0.6953094824831237 Lanczos alpha (0.7033400044059227,-1.6388612668442002E-17) (0.7059945994266955,2.38944296547182E-17) (0.7059942161337487,-8.725126013161426E-17) (0.7438008956456693,-7.65571100410414E-17) (0.7777038002044744,-1.6184291358978918E-16) (0.7615247301471677,-2.2716229766469374E-17) (0.7615245021494252,-8.750132644213655E-17) (0.798290049368635,-2.098208905478367E-17) (0.8376430985088046,4.848454677662034E-17) (0.8440544595413214,-1.5424497866323786E-16) (0.8440547973749899,7.666425712064953E-17) (0.8868795428046776,-1.2504265435537336E-16) (0.9453063329126042,6.093289369624929E-17) (0.9453062946529813,-5.259217766229685E-19) (0.9659551022360016,-7.402221779512683E-17) (0.9736765589088339,1.203322568731841E-16) Lanczos beta 0.7108535982903067 0.7082172163823315 0.7082175984721739 0.6684012474829027 0.6286308926130822 0.6481358541033521 0.648136121988329 0.6022731913999015 0.5462179414121897 0.5362574655223055 0.5362569337810629 0.4620007322013354 0.3261839005152202 0.32618401139456804 0.2587097610532609 0.227934110285077 Lanczos Diagonal 1 (1.3978267985613577,-3.257093558689307E-17) (1.3861591667231663,4.6914640319353535E-17) (1.386161631665886,-1.7131067981161833E-16) (1.6535363892184667,-1.7019335153714192E-16) (1.5813323516353672,-3.290808596732744E-16) (1.2651395075281138,-3.773902356932332E-17) (1.2651388643041512,-1.4536804587068924E-16) (1.169261715291222,-3.073263090025115E-17) (1.0222855374937834,5.91720400370001E-17) (0.810941758460475,-1.481938668967378E-16) (0.8109419033156082,7.365666160425387E-17) (0.7712238892416011,-1.087361671553212E-16) (0.7276916609231021,4.690580933913392E-17) (0.7276920883006357,-4.0485197028550365E-19) (0.5979638564177264,-4.5822637833691655E-17) (0.67700654428085,8.366815925251995E-17) ATTENZIONE1 lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat after lanczos_state_k ipol: 3 before lanczos_state_k Lanczos N1 1.9874126838692097 1.9634132453922295 1.9634178590480604 2.2230900645285647 2.0333349616676686 1.6613242899549587 1.661323903888272 1.4647078481028677 1.2204309139045466 0.960769468882133 0.960769251722231 0.8695925833819019 0.7697945469299431 0.7697950309052708 0.6190389760492373 0.6953094804240944 Lanczos alpha (0.7033400068014178,-4.095471936419313E-17) (0.7059945962536701,-6.278473693838045E-17) (0.7059942177040107,-1.0525355834907964E-17) (0.7438008943117206,7.918167719060447E-17) (0.7777037966511856,-6.046480132103448E-18) (0.7615247310673605,4.0250524984186733E-17) (0.7615245042125033,-9.089310789678759E-17) (0.7982900460013077,1.0085865847286752E-17) (0.8376431005251267,-1.9199062970437613E-17) (0.8440544604308293,2.5101093980702262E-17) (0.8440548006565717,-6.120197347430758E-17) (0.8868795513261761,7.423255372199567E-17) (0.9453063325999412,4.0886229250937673E-16) (0.9453062947069877,-7.784818707536613E-17) (0.9659551013149319,4.438404303861427E-17) (0.9736765590103755,-1.6669812177277316E-16) Lanczos beta 0.7108535959201309 0.7082172195453994 0.7082175969068419 0.6684012489673284 0.6286308970089929 0.6481358530221764 0.6481361195643247 0.6022731958631652 0.5462179383200938 0.5362574641222441 0.5362569286159338 0.46200071584303914 0.32618390142134573 0.32618401123804897 0.2587097644923003 0.22793410985132095 Lanczos Diagonal 1 (1.397826850589794,-8.139392872870136E-17) (1.3861591414597951,-1.2327238411328296E-16) (1.386161655424719,-2.0665671619094004E-17) (1.653536378131847,1.7602799985514087E-16) (1.5813323195525388,-1.2294519447634884E-17) (1.2651395331236237,6.686917483966835E-17) (1.2651388622448967,-1.5100289284762907E-16) (1.1692616954405146,1.4772846861433586E-17) (1.0222855346997184,-2.3431129967122113E-17) (0.8109417556557232,2.4116364732199816E-17) (0.8109418992393712,-5.880097425883433E-17) (0.7712238801863116,6.455207816214603E-17) (0.7276916600137778,3.1473996321899354E-16) (0.7276920883489126,-5.992714757560077E-17) (0.5979638568275327,2.7475452555549056E-17) (0.6770065423466243,-1.159067844374993E-16) ATTENZIONE1 lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat after lanczos_state_k ik: 4 ipol: 1 before lanczos_state_k Lanczos N1 1.7742303034376432 1.850876542426595 1.772809396894945 1.810409237738256 1.9234703580142571 1.9031688405504226 1.9443922396234372 1.6346968183084774 0.8063651060228805 0.8768958757287456 0.8306633805512001 0.6574381015146331 0.6679323433835807 0.6620338430790684 0.7582362802207937 0.6213865570444934 Lanczos alpha (0.6783786525888963,1.7927941673843498E-17) (0.693020628238886,6.598828502291854E-17) (0.6848408484894621,-3.188745881956951E-17) (0.6886651479358271,4.714082277649378E-17) (0.7841910780279291,-8.662126663719033E-17) (0.7823912189833879,-6.902286754620806E-17) (0.7861133840444166,-9.501546639748984E-17) (0.7663849005895662,-5.841083380080514E-17) (0.926376484874199,-1.0154229116616526E-17) (0.8978807239762207,-5.934788551068451E-17) (0.9155536490473565,8.413769795026272E-17) (0.9638930529326207,-7.338375434703491E-18) (0.9588884128806893,7.089720304488151E-17) (0.9616615920192406,1.5511761608976419E-16) (0.9437766976110803,1.3727041461046942E-17) (0.9749553588390029,5.20826118328385E-17) Lanczos beta 0.7347124632886498 0.7209177545569115 0.7286926733817444 0.7250795225480623 0.6205194220501044 0.622787267417766 0.618082314442207 0.6423816499156264 0.3765987364186481 0.440238805095527 0.40219586735329443 0.2662896590336004 0.2837833885962191 0.27423891488084373 0.3305836430410912 0.22240064809058424 Lanczos Diagonal 1 (1.203599962628417,3.180829739599572E-17) (1.282695624225096,1.2213616882388013E-16) (1.2140922915796257,-5.653038663843342E-17) (1.246765745531404,8.534418102914632E-17) (1.508368293605967,-1.666134387502849E-16) (1.4890225890894462,-1.3136217079938217E-16) (1.5285127634000824,-1.847473355074807E-16) (1.2528069585934225,-9.548400416892142E-17) (0.7469976724426868,-8.188016038201105E-18) (0.7873479037510881,-5.2041916037541026E-17) (0.7605168891936642,6.989010461116101E-17) (0.633700018783166,-4.824527613993084E-18) (0.6404725846587612,4.7354534969109235E-17) (0.6366525195060331,1.0269311150917012E-16) (0.7156057325556904,1.0408340855860843E-17) (0.6058241537010466,3.236343484869231E-17) ATTENZIONE1 lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat after lanczos_state_k ipol: 2 before lanczos_state_k Lanczos N1 1.7742303248468043 1.6913127750016936 1.9642398478977594 1.8104089192652224 1.923470335936236 1.9290396307443767 1.9179616515341011 1.6346967694151795 0.8519258495565922 0.8156369053648023 0.8306633814539341 0.6534271260470885 0.6767077302832539 0.6620338407281119 0.6289286665194086 0.6538002702258119 Lanczos alpha (0.6783786545754085,-4.9406120168129364E-17) (0.6773607091147102,-7.551138958056376E-18) (0.7064203080126553,2.2919976188417826E-17) (0.6886651383382623,3.9754206729656266E-17) (0.7841910762817448,2.6416958456306054E-17) (0.7846944285645744,8.06639326624466E-18) (0.7836945876011882,1.6513967268795577E-17) (0.7663848942698817,3.423770472113183E-17) (0.9069756918351093,-1.2208459626651322E-16) (0.9221124819506463,-5.998843169917862E-17) (0.9155536505170506,5.2666598566332625E-17) (0.9658916809569754,2.069818933574317E-16) (0.9549443248697653,7.448042287829133E-17) (0.9616615931055174,6.320944639185023E-17) (0.9719820854081168,-8.024695615880749E-17) (0.9633802214449976,-2.688117153870239E-16) Lanczos beta 0.7347124614544495 0.7356510516186429 0.7077925885648318 0.725079531663625 0.6205194242568712 0.6198827742240592 0.621146354223064 0.6423816574552419 0.4211829702400419 0.386921918002616 0.402195864007697 0.2589464436096903 0.2967850002931943 0.2742389110716389 0.23505494175976574 0.26813904775057784 Lanczos Diagonal 1 (1.203599980676465,-8.765783663532041E-17) (1.1456288206099157,-1.2771337785573726E-17) (1.3875789183626663,4.50203305421581E-17) (1.2467655088346083,7.197137044168323E-17) (1.5083682729338461,5.0812235956364596E-17) (1.5137066507253762,1.5560392287755523E-17) (1.5030961655339112,3.1673155936239256E-17) (1.2528069107915694,5.596826529982504E-17) (0.7726760367938035,-1.0400702339212283E-16) (0.7521089711764822,-4.8928778788805854E-17) (0.7605168912409868,4.374821485478678E-17) (0.6311398251605078,1.3524758372033155E-16) (0.6462182066294931,5.0401477916505464E-17) (0.6366525179643604,4.18467925650943E-17) (0.6113073968564808,-5.046961112920023E-17) (0.6298582491109419,-1.7574917215990027E-16) ATTENZIONE1 lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat after lanczos_state_k ipol: 3 before lanczos_state_k Lanczos N1 1.7742303238029793 1.9149910275906599 1.7231187022407377 1.8104088856029967 1.9234703096791859 1.9387107034117699 1.908569635755615 1.6346967786650046 0.847196530294877 0.8181633859309703 0.8306633681638121 0.6880689150354037 0.6504666080079885 0.6620338379722953 0.625785813350302 0.6696328185867387 Lanczos alpha (0.678378654923585,1.453169065746224E-17) (0.7003940554345985,1.9578680534607563E-16) (0.680141762077926,9.1316092406837E-17) (0.6886651418293454,5.64457091865331E-17) (0.7841910708735034,7.26264933943328E-17) (0.7855837779033108,7.812854946482933E-17) (0.7828628389484127,-4.6858156496562646E-17) (0.766384895403672,-3.1758246122310745E-17) (0.9088150136471592,-1.383913981934696E-17) (0.9209797198268229,1.8822547566580486E-17) (0.9155536572203045,1.0341896549287325E-17) (0.9501493832193847,2.6327637463755516E-17) (0.9673981393918856,1.9601796627458068E-17) (0.961661594294057,-3.6305798281384E-16) (0.9731995124451952,-1.1302149966787824E-19) (0.9587969656546679,1.0912161523307311E-16) Lanczos beta 0.734712461132971 0.7137563779833264 0.7330806118548865 0.7250795283478685 0.6205194310916203 0.6187553053470827 0.6221943228555117 0.6423816561025886 0.4171993180357739 0.38961051791206935 0.4021958487484969 0.3117950441681623 0.2532604191363452 0.27423890690384156 0.22996240774620602 0.2840922009689851 Lanczos Diagonal 1 (1.2035999805861017,2.5782566220593956E-17) (1.3412483319350914,3.7492997555837386E-16) (1.1719649904114444,1.5734846664176426E-16) (1.2467654919728948,1.0218981346546223E-16) (1.5083682419407098,1.3969490374011065E-16) (1.5230196786478032,1.5146865508950053E-16) (1.4941482433783786,-8.943205467682418E-17) (1.2528069197338991,-5.1915102632191747E-17) (0.7699449262417646,-1.1724471237216415E-17) (0.7535118859472698,1.5399919248920235E-17) (0.7605168846413144,8.590634620832716E-18) (0.65376825523332,1.8115228945131704E-17) (0.629260186323479,1.2750314163125078E-17) (0.6366525161010509,-2.4035666976872613E-16) (0.6090144484476339,-7.072725109573408E-20) (0.6420419145637478,7.307141477726035E-17) ATTENZIONE1 lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat lanczos h_psi lanczos alfa beta gamma lanczos d f omat after lanczos_state_k Unsymmetrized in crystal axis ( 12.32323 -5.26390 -3.32915 ) ( -5.26394 15.68659 -6.19700 ) ( -3.32920 -6.19703 12.49072 ) Symmetrized in crystal axis ( 12.32323 -5.26390 -3.32915 ) ( -5.26394 15.68659 -6.19700 ) ( -3.32920 -6.19703 12.49072 ) Dielectric constant in cartesian axis ( 13.500182454 0.000000000 0.000000000 ) ( 0.000000000 13.500182454 0.000000000 ) ( 0.000000000 0.000000000 13.500182454 ) POLA SCA (0.3143201189263525,0.) POLA SCA (0.3143201189263526,0.) POLA SCA (0.31432011892635253,0.) HEAD: 0. 13.50018245397647 13.500182453976477 13.500182453976473 E_HEAD : 1 1 (9.164402306340251E-18,0.000003368260464315057) 1 (9.201528428093294E-19,2.5974180624258396E-18) 1 (1.982870248204427E-18,3.2756020118540617E-18) Unsymmetrized in crystal axis ( 12.31863 -5.26153 -3.32768 ) ( -5.26157 15.68069 -6.19430 ) ( -3.32774 -6.19432 12.48610 ) Symmetrized in crystal axis ( 12.31863 -5.26153 -3.32768 ) ( -5.26157 15.68069 -6.19430 ) ( -3.32774 -6.19432 12.48610 ) Dielectric constant in cartesian axis ( 13.495139082 0.000000000 0.000000000 ) ( 0.000000000 13.495139082 0.000000000 ) ( 0.000000000 0.000000000 13.495139082 ) POLA SCA (0.31414745212665385,0.) POLA SCA (0.31414745212665385,0.) POLA SCA (0.3141474521266539,0.) HEAD: 0.005154639175257732 13.495139081947665 13.495139081947668 13.495139081947665 E_HEAD : 2 2 (6.0514492997648074E-18,0.000003750864503626105) 2 (2.68940425485198E-18,6.548369363575633E-18) 2 (2.981894787514039E-18,-2.2382096176443164E-18) Unsymmetrized in crystal axis ( 12.28198 -5.24264 -3.31599 ) ( -5.24269 15.63363 -6.17273 ) ( -3.31604 -6.17275 12.44925 ) Symmetrized in crystal axis ( 12.28198 -5.24264 -3.31599 ) ( -5.24269 15.63363 -6.17273 ) ( -3.31604 -6.17275 12.44925 ) Dielectric constant in cartesian axis ( 13.454952101 0.000000000 0.000000000 ) ( 0.000000000 13.454952101 0.000000000 ) ( 0.000000000 0.000000000 13.454952101 ) POLA SCA (0.31277265055465026,0.) POLA SCA (0.3127726505546503,0.) POLA SCA (0.3127726505546503,0.) HEAD: 0.015463917525773196 13.454952100775651 13.45495210077565 13.454952100775644 E_HEAD : 3 3 (3.918373729856245E-18,0.000004408362828058813) 3 (4.4195758164278235E-18,-2.4504578460772185E-18) 3 (-8.83014906853663E-19,-4.519051799434237E-18) Unsymmetrized in crystal axis ( 12.20944 -5.20531 -3.29289 ) ( -5.20535 15.54048 -6.13007 ) ( -3.29294 -6.13008 12.37634 ) Symmetrized in crystal axis ( 12.20944 -5.20531 -3.29289 ) ( -5.20535 15.54048 -6.13007 ) ( -3.29294 -6.13008 12.37634 ) Dielectric constant in cartesian axis ( 13.375421058 0.000000000 0.000000000 ) ( 0.000000000 13.375421058 0.000000000 ) ( 0.000000000 0.000000000 13.375421058 ) POLA SCA (0.31005755523745815,0.) POLA SCA (0.31005755523745815,0.) POLA SCA (0.31005755523745804,0.) HEAD: 0.025773195876288662 13.37542105848923 13.375421058489229 13.375421058489232 E_HEAD : 4 4 (4.439601367754205E-18,0.000004959140385863435) 4 (-3.2365221613872564E-18,2.977405512893591E-19) 4 (8.769840322692125E-19,4.185096713626991E-18) Unsymmetrized in crystal axis ( 12.10255 -5.15034 -3.25891 ) ( -5.15038 15.40313 -6.06721 ) ( -3.25896 -6.06722 12.26887 ) Symmetrized in crystal axis ( 12.10255 -5.15034 -3.25891 ) ( -5.15038 15.40313 -6.06721 ) ( -3.25896 -6.06722 12.26887 ) Dielectric constant in cartesian axis ( 13.258183207 0.000000000 0.000000000 ) ( 0.000000000 13.258183207 0.000000000 ) ( 0.000000000 0.000000000 13.258183207 ) POLA SCA (0.30606896227153974,0.) POLA SCA (0.30606896227153974,0.) POLA SCA (0.30606896227153974,0.) HEAD: 0.03608247422680412 13.25818320749561 13.258183207495607 13.258183207495605 E_HEAD : 5 5 (1.1186884406668049E-17,0.0000054390385563375795) 5 (-1.2363443602225747E-18,-1.7983102393271876E-18) 5 (-2.329713299446118E-18,6.764366844436154E-18) Unsymmetrized in crystal axis ( 11.96345 -5.07890 -3.21481 ) ( -5.07894 15.22429 -5.98545 ) ( -3.21486 -5.98546 12.12900 ) Symmetrized in crystal axis ( 11.96345 -5.07890 -3.21481 ) ( -5.07894 15.22429 -5.98545 ) ( -3.21486 -5.98546 12.12900 ) Dielectric constant in cartesian axis ( 13.105578506 0.000000000 0.000000000 ) ( 0.000000000 13.105578506 0.000000000 ) ( 0.000000000 0.000000000 13.105578506 ) POLA SCA (0.3009017694994268,0.) POLA SCA (0.3009017694994268,0.) POLA SCA (0.3009017694994268,0.) HEAD: 0.04639175257731958 13.105578506147303 13.105578506147308 13.10557850614731 E_HEAD : 6 6 (7.048818123740015E-18,0.000005857996315926869) 6 (1.296740492762183E-18,-4.822649847828139E-18) 6 (-4.570589783384205E-18,4.973799150320671E-20) Unsymmetrized in crystal axis ( 11.79484 -4.99246 -3.16155 ) ( -4.99250 15.00732 -5.88640 ) ( -3.16159 -5.88641 11.95941 ) Symmetrized in crystal axis ( 11.79484 -4.99246 -3.16155 ) ( -4.99250 15.00732 -5.88640 ) ( -3.16159 -5.88641 11.95941 ) Dielectric constant in cartesian axis ( 12.920524997 0.000000000 0.000000000 ) ( 0.000000000 12.920524997 0.000000000 ) ( 0.000000000 0.000000000 12.920524997 ) POLA SCA (0.2946733836112089,0.) POLA SCA (0.294673383611209,0.) POLA SCA (0.2946733836112089,0.) HEAD: 0.05670103092783505 12.920524997126606 12.920524997126604 12.920524997126606 E_HEAD : 7 7 (3.369826022445446E-18,0.000006209634695462939) 7 (-2.092548356813495E-18,-3.0678601613308777E-18) 7 (1.1651446409251253E-18,4.718003765447067E-18) Unsymmetrized in crystal axis ( 11.59980 -4.89269 -3.10018 ) ( -4.89272 14.75612 -5.77193 ) ( -3.10021 -5.77194 11.76320 ) Symmetrized in crystal axis ( 11.59980 -4.89269 -3.10018 ) ( -4.89272 14.75612 -5.77193 ) ( -3.10021 -5.77194 11.76320 ) Dielectric constant in cartesian axis ( 12.706373919 0.000000000 0.000000000 ) ( 0.000000000 12.706373919 0.000000000 ) ( 0.000000000 0.000000000 12.706373919 ) POLA SCA (0.28751730346985727,0.) POLA SCA (0.28751730346985727,0.) POLA SCA (0.28751730346985727,0.) HEAD: 0.06701030927835051 12.70637391889369 12.706373918893691 12.706373918893691 E_HEAD : 8 8 (5.510398992515076E-18,0.000006484941538495264) 8 (-6.039613253960803E-20,3.8607168812787934E-18) 8 (-1.2458838214574054E-18,4.497735517361434E-18) Unsymmetrized in crystal axis ( 11.38168 -4.78140 -3.03186 ) ( -4.78142 14.47490 -5.64405 ) ( -3.03189 -5.64405 11.54370 ) Symmetrized in crystal axis ( 11.38168 -4.78140 -3.03186 ) ( -4.78142 14.47490 -5.64405 ) ( -3.03189 -5.64405 11.54370 ) Dielectric constant in cartesian axis ( 12.466757877 0.000000000 0.000000000 ) ( 0.000000000 12.466757877 0.000000000 ) ( 0.000000000 0.000000000 12.466757877 ) POLA SCA (0.27957648934342405,0.) POLA SCA (0.27957648934342405,0.) POLA SCA (0.27957648934342405,0.) HEAD: 0.07731958762886598 12.466757877206142 12.466757877206142 12.466757877206136 E_HEAD : 9 9 (1.0010145373702279E-17,0.000006678874523966271) 9 (2.557953848736361E-19,-4.758063585599999E-18) 9 (1.792999342747903E-18,-1.9895196601282807E-18) Unsymmetrized in crystal axis ( 11.14392 -4.66046 -2.95777 ) ( -4.66047 14.16805 -5.50485 ) ( -2.95778 -5.50485 11.30436 ) Symmetrized in crystal axis ( 11.14392 -4.66046 -2.95777 ) ( -4.66047 14.16805 -5.50485 ) ( -2.95778 -5.50485 11.30436 ) Dielectric constant in cartesian axis ( 12.205444128 0.000000000 0.000000000 ) ( 0.000000000 12.205444128 0.000000000 ) ( 0.000000000 0.000000000 12.205444128 ) POLA SCA (0.27099706884756836,0.) POLA SCA (0.27099706884756836,0.) POLA SCA (0.27099706884756836,0.) HEAD: 0.08762886597938145 12.205444127827155 12.20544412782715 12.205444127827155 E_HEAD : 10 10 (6.637687905900183E-18,0.0000067914394395996006) 10 (-1.3269385590319874E-18,2.6932767810666085E-18) 10 (1.4264034831762418E-18,-3.2684965844964585E-19) Unsymmetrized in crystal axis ( 10.88999 -4.53172 -2.87905 ) ( -4.53173 13.83998 -5.35642 ) ( -2.87906 -5.35642 11.04864 ) Symmetrized in crystal axis ( 10.88999 -4.53172 -2.87905 ) ( -4.53173 13.83998 -5.35642 ) ( -2.87906 -5.35642 11.04864 ) Dielectric constant in cartesian axis ( 11.926202431 0.000000000 0.000000000 ) ( 0.000000000 11.926202431 0.000000000 ) ( 0.000000000 0.000000000 11.926202431 ) POLA SCA (0.26192280303695026,0.) POLA SCA (0.2619228030369502,0.) POLA SCA (0.26192280303695026,0.) HEAD: 0.0979381443298969 11.92620243074854 11.926202430748548 11.926202430748546 E_HEAD : 11 11 (1.3998654793451447E-17,0.00000682666928462288) 11 (1.9859669464494805E-18,4.299827231464895E-18) 11 (5.952947553303223E-19,-4.476419235288631E-19) Unsymmetrized in crystal axis ( 10.62321 -4.39699 -2.79682 ) ( -4.39699 13.49498 -5.20081 ) ( -2.79682 -5.20080 10.77990 ) Symmetrized in crystal axis ( 10.62321 -4.39699 -2.79682 ) ( -4.39699 13.49498 -5.20081 ) ( -2.79682 -5.20080 10.77990 ) Dielectric constant in cartesian axis ( 11.632693727 0.000000000 0.000000000 ) ( 0.000000000 11.632693727 0.000000000 ) ( 0.000000000 0.000000000 11.632693727 ) POLA SCA (0.2524905772996192,0.) POLA SCA (0.2524905772996193,0.) POLA SCA (0.2524905772996192,0.) HEAD: 0.10824742268041238 11.632693726540523 11.632693726540518 11.632693726540518 E_HEAD : 12 12 (4.657638726171859E-18,0.000006791316297010497) 12 (-1.8296475445822578E-18,4.4618815749335876E-18) 12 (3.0860459587084278E-18,-3.709033080667723E-18) Unsymmetrized in crystal axis ( 10.34675 -4.25797 -2.71210 ) ( -4.25796 13.13712 -5.03992 ) ( -2.71209 -5.03992 10.50128 ) Symmetrized in crystal axis ( 10.34675 -4.25797 -2.71210 ) ( -4.25796 13.13712 -5.03992 ) ( -2.71209 -5.03992 10.50128 ) Dielectric constant in cartesian axis ( 11.328382693 0.000000000 0.000000000 ) ( 0.000000000 11.328382693 0.000000000 ) ( 0.000000000 0.000000000 11.328382693 ) POLA SCA (0.24282702680905605,0.) POLA SCA (0.24282702680905605,0.) POLA SCA (0.24282702680905605,0.) HEAD: 0.11855670103092784 11.328382692877737 11.328382692877737 11.328382692877733 E_HEAD : 13 13 (6.536641998893111E-18,0.0000066937897345989366) 13 (-5.307754236127949E-18,-1.0399192900030496E-18) 13 (-1.2336865470169434E-18,4.853006885241484E-18) Unsymmetrized in crystal axis ( 10.06351 -4.11621 -2.62582 ) ( -4.11619 12.77018 -4.87555 ) ( -2.62580 -4.87554 10.21573 ) Symmetrized in crystal axis ( 10.06351 -4.11621 -2.62582 ) ( -4.11619 12.77018 -4.87555 ) ( -2.62580 -4.87554 10.21573 ) Dielectric constant in cartesian axis ( 11.016474517 0.000000000 0.000000000 ) ( 0.000000000 11.016474517 0.000000000 ) ( 0.000000000 0.000000000 11.016474517 ) POLA SCA (0.23304627820628776,0.) POLA SCA (0.23304627820628776,0.) POLA SCA (0.23304627820628773,0.) HEAD: 0.12886597938144329 11.016474517109025 11.016474517109025 11.016474517109025 E_HEAD : 14 14 (1.4036878727577988E-17,0.000006543365454522956) 14 (-2.248867758680717E-18,-5.839106325192245E-19) 14 (-4.705403547269199E-18,4.092726157978177E-18) Unsymmetrized in crystal axis ( 9.77613 -3.97310 -2.53881 ) ( -3.97308 12.39761 -4.70929 ) ( -2.53879 -4.70928 9.92589 ) Symmetrized in crystal axis ( 9.77613 -3.97310 -2.53881 ) ( -3.97308 12.39761 -4.70929 ) ( -2.53879 -4.70928 9.92589 ) Dielectric constant in cartesian axis ( 10.699874202 0.000000000 0.000000000 ) ( 0.000000000 10.699874202 0.000000000 ) ( 0.000000000 0.000000000 10.699874202 ) POLA SCA (0.2232486983065051,0.) POLA SCA (0.22324869830650512,0.) POLA SCA (0.22324869830650512,0.) HEAD: 0.13917525773195874 10.699874202489243 10.699874202489243 10.699874202489243 E_HEAD : 15 15 (6.755071634136466E-18,0.0000063495893868097554) 15 (-1.1155520951433574E-18,3.5015579709840246E-18) 15 (-2.1120427726607078E-18,3.431921413721284E-18) Unsymmetrized in crystal axis ( 9.48693 -3.82988 -2.45179 ) ( -3.82986 12.02247 -4.54258 ) ( -2.45177 -4.54257 9.63410 ) Symmetrized in crystal axis ( 9.48693 -3.82988 -2.45179 ) ( -3.82986 12.02247 -4.54258 ) ( -2.45177 -4.54257 9.63410 ) Dielectric constant in cartesian axis ( 10.381165454 0.000000000 0.000000000 ) ( 0.000000000 10.381165454 0.000000000 ) ( 0.000000000 0.000000000 10.381165454 ) POLA SCA (0.2135204875575489,0.) POLA SCA (0.2135204875575489,0.) POLA SCA (0.21352048755754888,0.) HEAD: 0.14948453608247422 10.381165454140367 10.381165454140369 10.381165454140367 E_HEAD : 16 16 (8.884471196845873E-18,0.0000061218172934144095) 16 (-8.1357143244531465E-19,-2.6917605920910233E-18) 16 (-2.99192365760953E-18,3.4106051316484815E-19) Unsymmetrized in crystal axis ( 9.19796 -3.68761 -2.36537 ) ( -3.68758 11.64744 -4.37665 ) ( -2.36534 -4.37664 9.34242 ) Symmetrized in crystal axis ( 9.19796 -3.68761 -2.36537 ) ( -3.68758 11.64744 -4.37665 ) ( -2.36534 -4.37664 9.34242 ) Dielectric constant in cartesian axis ( 10.062605579 0.000000000 0.000000000 ) ( 0.000000000 10.062605579 0.000000000 ) ( 0.000000000 0.000000000 10.062605579 ) POLA SCA (0.20393393514893743,0.) POLA SCA (0.20393393514893737,0.) POLA SCA (0.20393393514893743,0.) HEAD: 0.15979381443298968 10.06260557935284 10.06260557935284 10.062605579352839 E_HEAD : 17 17 (9.042842711295832E-18,0.000005868864799924866) 17 (3.165467887811247E-18,-1.6382040716371795E-18) 17 (-5.854691731421724E-19,-4.2348347051301976E-18) Unsymmetrized in crystal axis ( 8.91095 -3.54718 -2.28007 ) ( -3.54715 11.27484 -4.21255 ) ( -2.28004 -4.21255 9.05261 ) Symmetrized in crystal axis ( 8.91095 -3.54718 -2.28007 ) ( -3.54715 11.27484 -4.21255 ) ( -2.28004 -4.21255 9.05261 ) Dielectric constant in cartesian axis ( 9.746132734 0.000000000 0.000000000 ) ( 0.000000000 9.746132734 0.000000000 ) ( 0.000000000 0.000000000 9.746132734 ) POLA SCA (0.19454815572114392,0.) POLA SCA (0.19454815572114395,0.) POLA SCA (0.19454815572114395,0.) HEAD: 0.17010309278350513 9.74613273436438 9.746132734364382 9.74613273436438 E_HEAD : 18 18 (4.894221610796016E-18,0.000005598757704842882) 18 (1.968203378055478E-18,-2.354438191176471E-18) 18 (3.0830305214162025E-19,-1.6910917111090381E-18) Unsymmetrized in crystal axis ( 8.62737 -3.40933 -2.19629 ) ( -3.40930 10.90663 -4.05118 ) ( -2.19626 -4.05117 8.76615 ) Symmetrized in crystal axis ( 8.62737 -3.40933 -2.19629 ) ( -3.40930 10.90663 -4.05118 ) ( -2.19626 -4.05117 8.76615 ) Dielectric constant in cartesian axis ( 9.433382092 0.000000000 0.000000000 ) ( 0.000000000 9.433382092 0.000000000 ) ( 0.000000000 0.000000000 9.433382092 ) POLA SCA (0.18541014594604177,0.) POLA SCA (0.18541014594604177,0.) POLA SCA (0.18541014594604177,0.) HEAD: 0.18041237113402062 9.433382091704477 9.433382091704479 9.433382091704479 E_HEAD : 19 19 (1.5650830493695403E-17,0.000005318575340841477) 19 (2.007283228522283E-18,2.1378095149161836E-18) 19 (3.0859104334368672E-18,3.375077994860476E-18) Unsymmetrized in crystal axis ( 8.34843 -3.27466 -2.11438 ) ( -3.27464 10.54443 -3.89325 ) ( -2.11435 -3.89324 8.48427 ) Symmetrized in crystal axis ( 8.34843 -3.27466 -2.11438 ) ( -3.27464 10.54443 -3.89325 ) ( -2.11435 -3.89324 8.48427 ) Dielectric constant in cartesian axis ( 9.125707942 0.000000000 0.000000000 ) ( 0.000000000 9.125707942 0.000000000 ) ( 0.000000000 0.000000000 9.125707942 ) POLA SCA (0.17655602547522647,0.) POLA SCA (0.17655602547522647,0.) POLA SCA (0.17655602547522647,0.) HEAD: 0.19072164948453607 9.125707942257938 9.125707942257938 9.125707942257938 E_HEAD : 20 20 (4.409014944417295E-18,0.000005034376598780882) 20 (-5.069722419648316E-18,9.441283339980609E-19) 20 (9.412230109889786E-19,-4.142464149481385E-18) Unsymmetrized in crystal axis ( 8.07510 -3.14364 -2.03460 ) ( -3.14362 10.18956 -3.73934 ) ( -2.03457 -3.73933 8.20797 ) Symmetrized in crystal axis ( 8.07510 -3.14364 -2.03460 ) ( -3.14362 10.18956 -3.73934 ) ( -2.03457 -3.73933 8.20797 ) Dielectric constant in cartesian axis ( 8.824209271 0.000000000 0.000000000 ) ( 0.000000000 8.824209271 0.000000000 ) ( 0.000000000 0.000000000 8.824209271 ) POLA SCA (0.1680123553736439,0.) POLA SCA (0.1680123553736439,0.) POLA SCA (0.1680123553736439,0.) HEAD: 0.20103092783505153 8.824209270712867 8.824209270712869 8.824209270712869 E_HEAD : 21 21 (1.6543128340205414E-18,0.000004751194358056154) 21 (1.1191048088221576E-18,1.1334910196862322E-18) 21 (3.7852208346900175E-18,9.80548975348939E-19) Unsymmetrized in crystal axis ( 7.94079 -3.07962 -1.99557 ) ( -3.07959 10.01521 -3.66403 ) ( -1.99554 -3.66402 8.07216 ) Symmetrized in crystal axis ( 7.94079 -3.07962 -1.99557 ) ( -3.07959 10.01521 -3.66403 ) ( -1.99554 -3.66402 8.07216 ) Dielectric constant in cartesian axis ( 8.676056028 0.000000000 0.000000000 ) ( 0.000000000 8.676056028 0.000000000 ) ( 0.000000000 0.000000000 8.676056028 ) POLA SCA (0.1638629508276495,0.) POLA SCA (0.1638629508276495,0.) POLA SCA (0.1638629508276495,0.) HEAD: 0.20618556701030927 8.676056028045691 8.676056028045688 8.676056028045688 E_HEAD : 22 22 (7.846167598247502E-18,0.000004611287269931296) 22 (-1.5027978861326124E-18,-9.492613536584219E-19) 22 (6.343260335398004E-19,-3.105071755271638E-18) Unsymmetrized in crystal axis ( 7.80816 -3.01663 -1.95714 ) ( -3.01661 9.84307 -3.58988 ) ( -1.95711 -3.58988 7.93804 ) Symmetrized in crystal axis ( 7.80816 -3.01663 -1.95714 ) ( -3.01661 9.84307 -3.58988 ) ( -1.95711 -3.58988 7.93804 ) Dielectric constant in cartesian axis ( 8.529756873 0.000000000 0.000000000 ) ( 0.000000000 8.529756873 0.000000000 ) ( 0.000000000 0.000000000 8.529756873 ) POLA SCA (0.1597974545334684,0.) POLA SCA (0.1597974545334684,0.) POLA SCA (0.15979745453346844,0.) HEAD: 0.211340206185567 8.529756873288953 8.529756873288951 8.529756873288948 E_HEAD : 23 23 (-4.530107710241934E-19,0.000004473081872579258) 23 (-5.71986902286881E-19,-1.452331161691696E-18) 23 (3.770448580089902E-18,-2.6432189770275734E-18) Unsymmetrized in crystal axis ( 7.54821 -2.89388 -1.88215 ) ( -2.89386 9.50577 -3.44521 ) ( -1.88212 -3.44521 7.67508 ) Symmetrized in crystal axis ( 7.54821 -2.89388 -1.88215 ) ( -2.89386 9.50577 -3.44521 ) ( -1.88212 -3.44521 7.67508 ) Dielectric constant in cartesian axis ( 8.243020574 0.000000000 0.000000000 ) ( 0.000000000 8.243020574 0.000000000 ) ( 0.000000000 0.000000000 8.243020574 ) POLA SCA (0.15192265863594434,0.) POLA SCA (0.15192265863594434,0.) POLA SCA (0.15192265863594434,0.) HEAD: 0.22164948453608246 8.243020574400814 8.243020574400814 8.243020574400813 E_HEAD : 24 24 (2.341564994489255E-18,0.000004203194629484926) 24 (1.5383250229206171E-18,2.2618066680647406E-18) 24 (-1.543649783735182E-18,-1.2292389328649735E-18) Unsymmetrized in crystal axis ( 7.29568 -2.77556 -1.80972 ) ( -2.77554 9.17826 -3.30556 ) ( -1.80969 -3.30556 7.41955 ) Symmetrized in crystal axis ( 7.29568 -2.77556 -1.80972 ) ( -2.77554 9.17826 -3.30556 ) ( -1.80969 -3.30556 7.41955 ) Dielectric constant in cartesian axis ( 7.964495519 0.000000000 0.000000000 ) ( 0.000000000 7.964495519 0.000000000 ) ( 0.000000000 0.000000000 7.964495519 ) POLA SCA (0.1443934861056254,0.) POLA SCA (0.14439348610562536,0.) POLA SCA (0.1443934861056254,0.) HEAD: 0.23195876288659792 7.964495519495798 7.964495519495795 7.964495519495795 E_HEAD : 25 25 (8.108208652196901E-18,0.000003943892884318445) 25 (6.217248937900875E-19,3.0704520821494762E-18) 25 (2.0307953723600752E-18,-1.6910917111090385E-18) Unsymmetrized in crystal axis ( 7.05088 -2.66177 -1.73990 ) ( -2.66175 8.86095 -3.17107 ) ( -1.73987 -3.17107 7.17175 ) Symmetrized in crystal axis ( 7.05088 -2.66177 -1.73990 ) ( -2.66175 8.86095 -3.17107 ) ( -1.73987 -3.17107 7.17175 ) Dielectric constant in cartesian axis ( 7.694526866 0.000000000 0.000000000 ) ( 0.000000000 7.694526866 0.000000000 ) ( 0.000000000 0.000000000 7.694526866 ) POLA SCA (0.13721069107123246,0.) POLA SCA (0.1372106910712325,0.) POLA SCA (0.1372106910712325,0.) HEAD: 0.2422680412371134 7.694526866332315 7.694526866332313 7.694526866332315 E_HEAD : 26 26 (2.8539628643248818E-18,0.0000036968527679121194) 26 (-9.876544027065398E-19,1.2140523232995888E-19) 26 (-2.0159384144652347E-21,1.8403056856186595E-18) Unsymmetrized in crystal axis ( 6.81398 -2.55254 -1.67271 ) ( -2.55253 8.55411 -3.04181 ) ( -1.67269 -3.04181 6.93190 ) Symmetrized in crystal axis ( 6.81398 -2.55254 -1.67271 ) ( -2.55253 8.55411 -3.04181 ) ( -1.67269 -3.04181 6.93190 ) Dielectric constant in cartesian axis ( 7.433332468 0.000000000 0.000000000 ) ( 0.000000000 7.433332468 0.000000000 ) ( 0.000000000 0.000000000 7.433332468 ) POLA SCA (0.1303711949590508,0.) POLA SCA (0.13037119495905078,0.) POLA SCA (0.13037119495905078,0.) HEAD: 0.25257731958762886 7.433332468299297 7.433332468299298 7.433332468299298 E_HEAD : 27 27 (3.924476314136454E-18,0.000003463176893379597) 27 (3.410605131648479E-19,2.140765659902101E-18) 27 (-2.1098743683157368E-18,3.709033080667723E-18) Unsymmetrized in crystal axis ( 6.58510 -2.44788 -1.60816 ) ( -2.44787 8.25787 -2.91779 ) ( -1.60814 -2.91779 6.70010 ) Symmetrized in crystal axis ( 6.58510 -2.44788 -1.60816 ) ( -2.44787 8.25787 -2.91779 ) ( -1.60814 -2.91779 6.70010 ) Dielectric constant in cartesian axis ( 7.181023349 0.000000000 0.000000000 ) ( 0.000000000 7.181023349 0.000000000 ) ( 0.000000000 0.000000000 7.181023349 ) POLA SCA (0.12386889657297451,0.) POLA SCA (0.12386889657297451,0.) POLA SCA (0.12386889657297455,0.) HEAD: 0.26288659793814434 7.181023348549712 7.181023348549712 7.181023348549714 E_HEAD : 28 28 (6.1891523787925506E-18,0.000003243498290561775) 28 (2.0321522242738866E-18,-1.4151548856367047E-18) 28 (-1.324014140512142E-18,-5.684341886080817E-20) Unsymmetrized in crystal axis ( 6.36424 -2.34773 -1.54620 ) ( -2.34772 7.97226 -2.79898 ) ( -1.54619 -2.79898 6.47636 ) Symmetrized in crystal axis ( 6.36424 -2.34773 -1.54620 ) ( -2.34772 7.97226 -2.79898 ) ( -1.54619 -2.79898 6.47636 ) Dielectric constant in cartesian axis ( 6.937621913 0.000000000 0.000000000 ) ( 0.000000000 6.937621913 0.000000000 ) ( 0.000000000 0.000000000 6.937621913 ) POLA SCA (0.11769536600383956,0.) POLA SCA (0.11769536600383956,0.) POLA SCA (0.11769536600383956,0.) HEAD: 0.2731958762886598 6.937621912764681 6.937621912764684 6.937621912764684 E_HEAD : 29 29 (2.6719710394033885E-18,0.000003038073979498165) 29 (-1.1119993814645569E-18,3.131895852143303E-18) 29 (1.455202603382888E-20,-9.947598300641408E-19) Unsymmetrized in crystal axis ( 6.15136 -2.25200 -1.48682 ) ( -2.25199 7.69722 -2.68531 ) ( -1.48681 -2.68530 6.26065 ) Symmetrized in crystal axis ( 6.15136 -2.25200 -1.48682 ) ( -2.25199 7.69722 -2.68531 ) ( -1.48681 -2.68530 6.26065 ) Dielectric constant in cartesian axis ( 6.703077952 0.000000000 0.000000000 ) ( 0.000000000 6.703077952 0.000000000 ) ( 0.000000000 0.000000000 6.703077952 ) POLA SCA (0.11184043107924237,0.) POLA SCA (0.11184043107924238,0.) POLA SCA (0.11184043107924235,0.) HEAD: 0.28350515463917525 6.703077951804645 6.703077951804648 6.703077951804649 E_HEAD : 30 30 (1.1760207898953182E-18,0.0000028468664455754585) 30 (-5.329070518200753E-19,1.3168143604604805E-18) 30 (3.320538559826308E-19,-2.842170943040401E-19) Unsymmetrized in crystal axis ( 5.94636 -2.16059 -1.42993 ) ( -2.16059 7.43262 -2.57665 ) ( -1.42992 -2.57665 6.05287 ) Symmetrized in crystal axis ( 5.94636 -2.16059 -1.42993 ) ( -2.16059 7.43262 -2.57665 ) ( -1.42992 -2.57665 6.05287 ) Dielectric constant in cartesian axis ( 6.477282553 0.000000000 0.000000000 ) ( 0.000000000 6.477282553 0.000000000 ) ( 0.000000000 0.000000000 6.477282553 ) POLA SCA (0.10629266686001415,0.) POLA SCA (0.10629266686001415,0.) POLA SCA (0.10629266686001416,0.) HEAD: 0.29381443298969073 6.477282553202506 6.477282553202509 6.477282553202508 E_HEAD : 31 31 (2.6818806196633047E-18,0.0000026696126915036867) 31 (-1.0480505352461478E-18,2.934206832583622E-19) 31 (-1.5687388996328544E-18,-4.867217739956686E-19) Unsymmetrized in crystal axis ( 5.74909 -2.07338 -1.37548 ) ( -2.07338 7.17827 -2.47289 ) ( -1.37548 -2.47289 5.85288 ) Symmetrized in crystal axis ( 5.74909 -2.07338 -1.37548 ) ( -2.07338 7.17827 -2.47289 ) ( -1.37548 -2.47289 5.85288 ) Dielectric constant in cartesian axis ( 6.260080081 0.000000000 0.000000000 ) ( 0.000000000 6.260080081 0.000000000 ) ( 0.000000000 0.000000000 6.260080081 ) POLA SCA (0.10103979936476543,0.) POLA SCA (0.1010397993647654,0.) POLA SCA (0.10103979936476543,0.) HEAD: 0.3041237113402062 6.260080081040123 6.260080081040125 6.260080081040123 E_HEAD : 32 32 (6.51042365764862E-18,0.0000025058814754116274) 32 (-1.8580692540126617E-18,-2.106570939821445E-19) 32 (-2.3950703616562596E-18,1.4566126083082064E-19) Unsymmetrized in crystal axis ( 4.09205 -1.37305 -0.93061 ) ( -1.37305 5.05481 -1.63691 ) ( -0.93061 -1.63691 4.17115 ) Symmetrized in crystal axis ( 4.09205 -1.37305 -0.93061 ) ( -1.37305 5.05481 -1.63691 ) ( -0.93061 -1.63691 4.17115 ) Dielectric constant in cartesian axis ( 4.439334283 0.000000000 0.000000000 ) ( 0.000000000 4.439334283 0.000000000 ) ( 0.000000000 0.000000000 4.439334283 ) POLA SCA (0.060482034817868804,0.) POLA SCA (0.06048203481786881,0.) POLA SCA (0.06048203481786881,0.) HEAD: 0.41237113402061853 4.439334283390509 4.439334283390509 4.439334283390509 E_HEAD : 33 33 (3.5052830903935974E-18,0.0000014368268032280584) 33 (3.1956659540810506E-18,1.7832245825365885E-18) 33 (1.2719385549149476E-18,2.7178259642823838E-18) Unsymmetrized in crystal axis ( 2.34018 -0.70908 -0.49171 ) ( -0.70908 2.84677 -0.84234 ) ( -0.49172 -0.84234 2.38914 ) Symmetrized in crystal axis ( 2.34018 -0.70908 -0.49171 ) ( -0.70908 2.84677 -0.84234 ) ( -0.49172 -0.84234 2.38914 ) Dielectric constant in cartesian axis ( 2.525362932 0.000000000 0.000000000 ) ( 0.000000000 2.525362932 0.000000000 ) ( 0.000000000 0.000000000 2.525362932 ) POLA SCA (0.025735887170019362,0.) POLA SCA (0.025735887170019362,0.) POLA SCA (0.02573588717001936,0.) HEAD: 0.6185567010309279 2.5253629324966957 2.525362932496696 2.5253629324966957 E_HEAD : 34 34 (3.588594300833422E-18,8.478742441702991E-7) 34 (-1.185718190299667E-18,-1.4196483954218888E-18) 34 (-1.6057881207457575E-18,-1.1368683772161604E-18) Unsymmetrized in crystal axis ( 1.48434 -0.42108 -0.29473 ) ( -0.42108 1.78816 -0.49867 ) ( -0.29473 -0.49867 1.51668 ) Symmetrized in crystal axis ( 1.48434 -0.42108 -0.29473 ) ( -0.42108 1.78816 -0.49867 ) ( -0.29473 -0.49867 1.51668 ) Dielectric constant in cartesian axis ( 1.596394562 0.000000000 0.000000000 ) ( 0.000000000 1.596394562 0.000000000 ) ( 0.000000000 0.000000000 1.596394562 ) POLA SCA (0.0126743412511129,0.) POLA SCA (0.012674341251112903,0.) POLA SCA (0.012674341251112903,0.) HEAD: 0.8247422680412371 1.596394562265912 1.5963945622659124 1.5963945622659124 E_HEAD : 35 35 (2.336951248832636E-18,5.532226805555639E-7) 35 (-2.4291679778798433E-19,2.8916646028077745E-19) 35 (-6.365240840379254E-19,4.991562718714703E-19) Unsymmetrized in crystal axis ( 1.01673 -0.27610 -0.19402 ) ( -0.27610 1.21711 -0.32633 ) ( -0.19402 -0.32633 1.03936 ) Symmetrized in crystal axis ( 1.01673 -0.27610 -0.19402 ) ( -0.27610 1.21711 -0.32633 ) ( -0.19402 -0.32633 1.03936 ) Dielectric constant in cartesian axis ( 1.091066192 0.000000000 0.000000000 ) ( 0.000000000 1.091066192 0.000000000 ) ( 0.000000000 0.000000000 1.091066192 ) POLA SCA (0.006971997687153732,0.) POLA SCA (0.0069719976871537356,0.) POLA SCA (0.006971997687153732,0.) HEAD: 1.0309278350515463 1.0910661924060532 1.0910661924060527 1.0910661924060532 E_HEAD : 36 36 (1.748433256318286E-18,3.4117464535282945E-7) 36 (-7.314149286230532E-19,-6.430631783907286E-19) 36 (9.985036140470507E-20,2.27373675443232E-19) Unsymmetrized in crystal axis ( 0.73694 -0.19417 -0.13670 ) ( -0.19417 0.87841 -0.22921 ) ( -0.13670 -0.22921 0.75353 ) Symmetrized in crystal axis ( 0.73694 -0.19417 -0.13670 ) ( -0.19417 0.87841 -0.22921 ) ( -0.13670 -0.22921 0.75353 ) Dielectric constant in cartesian axis ( 0.789630117 0.000000000 0.000000000 ) ( 0.000000000 0.789630117 0.000000000 ) ( 0.000000000 0.000000000 0.789630117 ) POLA SCA (0.004169074492942015,0.) POLA SCA (0.004169074492942015,0.) POLA SCA (0.004169074492942015,0.) HEAD: 1.2371134020618557 0.7896301171014134 0.7896301171014138 0.7896301171014136 E_HEAD : 37 37 (1.0744046100129814E-18,2.11543714001202E-7) 37 (3.6654013157999536E-19,-7.630919821813992E-20) 37 (7.045620055261271E-20,5.524469770534779E-19) Unsymmetrized in crystal axis ( 0.55743 -0.14371 -0.10128 ) ( -0.14371 0.66242 -0.16950 ) ( -0.10128 -0.16950 0.57006 ) Symmetrized in crystal axis ( 0.55743 -0.14371 -0.10128 ) ( -0.14371 0.66242 -0.16950 ) ( -0.10128 -0.16950 0.57006 ) Dielectric constant in cartesian axis ( 0.596634048 0.000000000 0.000000000 ) ( 0.000000000 0.596634048 0.000000000 ) ( 0.000000000 0.000000000 0.596634048 ) POLA SCA (0.002659535634714681,0.) POLA SCA (0.0026595356347146808,0.) POLA SCA (0.0026595356347146808,0.) HEAD: 1.443298969072165 0.5966340477426842 0.5966340477426842 0.5966340477426842 E_HEAD : 38 38 (1.796505030006115E-18,1.3433088379661129E-7) 38 (1.6414647419082937E-19,4.774523553347518E-19) 38 (-3.3560292403162637E-19,-3.5527136788005016E-19) Unsymmetrized in crystal axis ( 0.43583 -0.11054 -0.07795 ) ( -0.11054 0.51674 -0.13031 ) ( -0.07795 -0.13031 0.44573 ) Symmetrized in crystal axis ( 0.43583 -0.11054 -0.07795 ) ( -0.11054 0.51674 -0.13031 ) ( -0.07795 -0.13031 0.44573 ) Dielectric constant in cartesian axis ( 0.466100792 0.000000000 0.000000000 ) ( 0.000000000 0.466100792 0.000000000 ) ( 0.000000000 0.000000000 0.466100792 ) POLA SCA (0.0017859368258699628,0.) POLA SCA (0.001785936825869963,0.) POLA SCA (0.0017859368258699632,0.) HEAD: 1.6494845360824741 0.46610079175047353 0.4661007917504736 0.4661007917504736 E_HEAD : 39 39 (9.30975742636825E-19,8.648819645584103E-8) 39 (1.176836406102668E-20,-4.114790766554825E-19) 39 (-1.9312668834753268E-19,-6.927791673660978E-20) Unsymmetrized in crystal axis ( 0.34984 -0.08762 -0.06181 ) ( -0.08762 0.41407 -0.10325 ) ( -0.06181 -0.10325 0.35779 ) Symmetrized in crystal axis ( 0.34984 -0.08762 -0.06181 ) ( -0.08762 0.41407 -0.10325 ) ( -0.06181 -0.10325 0.35779 ) Dielectric constant in cartesian axis ( 0.373899758 0.000000000 0.000000000 ) ( 0.000000000 0.373899758 0.000000000 ) ( 0.000000000 0.000000000 0.373899758 ) POLA SCA (0.001250163470065035,0.) POLA SCA (0.0012501634700650347,0.) POLA SCA (0.0012501634700650345,0.) HEAD: 1.8556701030927834 0.3738997576207724 0.37389975762077227 0.37389975762077227 E_HEAD : 40 40 (8.669717167559193E-19,5.560148447751168E-8) 40 (4.0634162701280724E-20,6.685101657086158E-20) 40 (1.0704431810485424E-19,1.1279865930191593E-19) Unsymmetrized in crystal axis ( 0.28688 -0.07113 -0.05019 ) ( -0.07113 0.33908 -0.08380 ) ( -0.05019 -0.08380 0.29340 ) Symmetrized in crystal axis ( 0.28688 -0.07113 -0.05019 ) ( -0.07113 0.33908 -0.08380 ) ( -0.05019 -0.08380 0.29340 ) Dielectric constant in cartesian axis ( 0.306452676 0.000000000 0.000000000 ) ( 0.000000000 0.306452676 0.000000000 ) ( 0.000000000 0.000000000 0.306452676 ) POLA SCA (0.0009055016550029982,0.) POLA SCA (0.0009055016550029982,0.) POLA SCA (0.000905501655002998,0.) HEAD: 2.0618556701030926 0.3064526759430489 0.30645267594304887 0.30645267594304887 E_HEAD : 41 41 (4.029210506746738E-19,3.509171858427607E-8) 41 (1.8318679906315053E-20,6.243903370685075E-20) 41 (-9.674175048828178E-21,-3.8369307731045413E-19) Unsymmetrized in crystal axis ( 0.23944 -0.05888 -0.04156 ) ( -0.05888 0.28269 -0.06935 ) ( -0.04156 -0.06935 0.24488 ) Symmetrized in crystal axis ( 0.23944 -0.05888 -0.04156 ) ( -0.05888 0.28269 -0.06935 ) ( -0.04156 -0.06935 0.24488 ) Dielectric constant in cartesian axis ( 0.255671775 0.000000000 0.000000000 ) ( 0.000000000 0.255671775 0.000000000 ) ( 0.000000000 0.000000000 0.255671775 ) POLA SCA (0.0006747517905586059,0.) POLA SCA (0.0006747517905586057,0.) POLA SCA (0.0006747517905586059,0.) HEAD: 2.268041237113402 0.25567177500930494 0.2556717750093048 0.2556717750093049 E_HEAD : 42 42 (7.439658326456423E-19,2.121700080632394E-8) 42 (-3.1752378504279483E-19,-2.8811825700855027E-20) 42 (2.6191476338964646E-19,2.930988785010414E-20) Unsymmetrized in crystal axis ( 0.20284 -0.04954 -0.03497 ) ( -0.04954 0.23925 -0.05834 ) ( -0.03497 -0.05834 0.20744 ) Symmetrized in crystal axis ( 0.20284 -0.04954 -0.03497 ) ( -0.04954 0.23925 -0.05834 ) ( -0.03497 -0.05834 0.20744 ) Dielectric constant in cartesian axis ( 0.216507502 0.000000000 0.000000000 ) ( 0.000000000 0.216507502 0.000000000 ) ( 0.000000000 0.000000000 0.216507502 ) POLA SCA (0.0005149609387017375,0.) POLA SCA (0.0005149609387017375,0.) POLA SCA (0.0005149609387017377,0.) HEAD: 2.4742268041237114 0.21650750193807802 0.21650750193807802 0.21650750193807808 E_HEAD : 43 43 (6.59016103102685E-19,1.1707409738562545E-8) 43 (1.4144241333724494E-19,1.4540273451685726E-19) 43 (-9.156532038937394E-20,1.8829382497642655E-19) Unsymmetrized in crystal axis ( 0.17401 -0.04225 -0.02983 ) ( -0.04225 0.20508 -0.04975 ) ( -0.02983 -0.04975 0.17795 ) Symmetrized in crystal axis ( 0.17401 -0.04225 -0.02983 ) ( -0.04225 0.20508 -0.04975 ) ( -0.02983 -0.04975 0.17795 ) Dielectric constant in cartesian axis ( 0.185680295 0.000000000 0.000000000 ) ( 0.000000000 0.185680295 0.000000000 ) ( 0.000000000 0.000000000 0.185680295 ) POLA SCA (0.0004010715857886008,0.) POLA SCA (0.00040107158578860075,0.) POLA SCA (0.0004010715857886007,0.) HEAD: 2.6804123711340204 0.18568029491650673 0.18568029491650676 0.18568029491650684 E_HEAD : 44 44 (5.836181375504253E-19,5.128655416824835E-9) 44 (8.08242361927114E-20,-2.2620014856426092E-20) 44 (5.2733359620296553E-20,-1.0924594562311543E-19) Unsymmetrized in crystal axis ( 0.15091 -0.03646 -0.02574 ) ( -0.03646 0.17773 -0.04293 ) ( -0.02574 -0.04293 0.15432 ) Symmetrized in crystal axis ( 0.15091 -0.03646 -0.02574 ) ( -0.03646 0.17773 -0.04293 ) ( -0.02574 -0.04293 0.15432 ) Dielectric constant in cartesian axis ( 0.160987567 0.000000000 0.000000000 ) ( 0.000000000 0.160987567 0.000000000 ) ( 0.000000000 0.000000000 0.160987567 ) POLA SCA (0.0003178579032850187,0.) POLA SCA (0.00031785790328501867,0.) POLA SCA (0.0003178579032850188,0.) HEAD: 2.88659793814433 0.16098756661105462 0.1609875666110546 0.16098756661105462 E_HEAD : 45 45 (5.778124581779356E-19,5.506654744809038E-10) 45 (-3.241851231905457E-20,1.1134777487249813E-20) 45 (1.4963392878618852E-19,-3.5971225997855086E-20) Unsymmetrized in crystal axis ( 0.13211 -0.03178 -0.02244 ) ( -0.03178 0.15551 -0.03741 ) ( -0.02244 -0.03741 0.13510 ) Symmetrized in crystal axis ( 0.13211 -0.03178 -0.02244 ) ( -0.03178 0.15551 -0.03741 ) ( -0.02244 -0.03741 0.13510 ) Dielectric constant in cartesian axis ( 0.140906836 0.000000000 0.000000000 ) ( 0.000000000 0.140906836 0.000000000 ) ( 0.000000000 0.000000000 0.140906836 ) POLA SCA (0.00025573430815399427,0.) POLA SCA (0.00025573430815399416,0.) POLA SCA (0.0002557343081539943,0.) HEAD: 3.092783505154639 0.14090683599997886 0.14090683599997889 0.14090683599997886 E_HEAD : 46 46 (5.197768698288526E-19,-2.641625175355599E-9) 46 (-8.504308368628698E-20,2.7716506220936807E-20) 46 (3.870186180233504E-20,-3.5971225997855056E-20) Unsymmetrized in crystal axis ( 0.11662 -0.02795 -0.01973 ) ( -0.02795 0.13720 -0.03290 ) ( -0.01973 -0.03290 0.11925 ) Symmetrized in crystal axis ( 0.11662 -0.02795 -0.01973 ) ( -0.02795 0.13720 -0.03290 ) ( -0.01973 -0.03290 0.11925 ) Dielectric constant in cartesian axis ( 0.124359112 0.000000000 0.000000000 ) ( 0.000000000 0.124359112 0.000000000 ) ( 0.000000000 0.000000000 0.124359112 ) POLA SCA (0.00020847546916330555,0.) POLA SCA (0.00020847546916330555,0.) POLA SCA (0.00020847546916330555,0.) HEAD: 3.2989690721649483 0.12435911181441574 0.12435911181441571 0.12435911181441577 E_HEAD : 47 47 (6.838812875684274E-19,-4.862025770005386E-9) 47 (-4.629630012686903E-20,-6.594627950407559E-20) 47 (1.1228215809243802E-20,-1.1102230246251566E-19) Unsymmetrized in crystal axis ( 0.10370 -0.02477 -0.01749 ) ( -0.02477 0.12194 -0.02915 ) ( -0.01749 -0.02915 0.10604 ) Symmetrized in crystal axis ( 0.10370 -0.02477 -0.01749 ) ( -0.02477 0.12194 -0.02915 ) ( -0.01749 -0.02915 0.10604 ) Dielectric constant in cartesian axis ( 0.110562801 0.000000000 0.000000000 ) ( 0.000000000 0.110562801 0.000000000 ) ( 0.000000000 0.000000000 0.110562801 ) POLA SCA (0.0001719257431092853,0.) POLA SCA (0.0001719257431092853,0.) POLA SCA (0.00017192574310928528,0.) HEAD: 3.5051546391752577 0.11056280090849552 0.1105628009084955 0.11056280090849546 E_HEAD : 48 48 (4.1375776483831525E-19,-6.393394861642587E-9) 48 (-5.695444116327054E-20,-1.8211949519796304E-19) 48 (9.784381976199843E-20,-2.495781359357352E-19) Unsymmetrized in crystal axis ( 0.09282 -0.02210 -0.01561 ) ( -0.02210 0.10910 -0.02601 ) ( -0.01561 -0.02601 0.09491 ) Symmetrized in crystal axis ( 0.09282 -0.02210 -0.01561 ) ( -0.02210 0.10910 -0.02601 ) ( -0.01561 -0.02601 0.09491 ) Dielectric constant in cartesian axis ( 0.098940706 0.000000000 0.000000000 ) ( 0.000000000 0.098940706 0.000000000 ) ( 0.000000000 0.000000000 0.098940706 ) POLA SCA (0.00014324253035252662,0.) POLA SCA (0.00014324253035252662,0.) POLA SCA (0.0001432425303525266,0.) HEAD: 3.7113402061855667 0.0989407059335004 0.09894070593350039 0.0989407059335004 E_HEAD : 49 49 (3.2829953053362273E-19,-7.431918863145093E-9) 49 (1.906252933281394E-19,3.2640414622444467E-20) 49 (6.42461255602586E-21,5.773159728050815E-20) Unsymmetrized in crystal axis ( 0.08356 -0.01984 -0.01401 ) ( -0.01984 0.09818 -0.02335 ) ( -0.01401 -0.02335 0.08544 ) Symmetrized in crystal axis ( 0.08356 -0.01984 -0.01401 ) ( -0.01984 0.09818 -0.02335 ) ( -0.01401 -0.02335 0.08544 ) Dielectric constant in cartesian axis ( 0.089059200 0.000000000 0.000000000 ) ( 0.000000000 0.089059200 0.000000000 ) ( 0.000000000 0.000000000 0.089059200 ) POLA SCA (0.00012043854926580218,0.) POLA SCA (0.00012043854926580215,0.) POLA SCA (0.0001204385492658021,0.) HEAD: 3.917525773195876 0.08905919979867556 0.08905919979867556 0.08905919979867559 E_HEAD : 50 50 (4.008167841693459E-19,-8.115472685779945E-9) 50 (3.430589146091734E-20,-3.555420796099926E-20) 50 (1.0823790664154376E-19,1.616484723854228E-19) Unsymmetrized in crystal axis ( 0.07562 -0.01791 -0.01265 ) ( -0.01791 0.08882 -0.02108 ) ( -0.01265 -0.02108 0.07732 ) Symmetrized in crystal axis ( 0.07562 -0.01791 -0.01265 ) ( -0.01791 0.08882 -0.02108 ) ( -0.01265 -0.02108 0.07732 ) Dielectric constant in cartesian axis ( 0.080587479 0.000000000 0.000000000 ) ( 0.000000000 0.080587479 0.000000000 ) ( 0.000000000 0.000000000 0.080587479 ) POLA SCA (0.00010209705199221344,0.) POLA SCA (0.00010209705199221344,0.) POLA SCA (0.00010209705199221345,0.) HEAD: 4.123711340206185 0.0805874786927397 0.0805874786927397 0.0805874786927397 E_HEAD : 51 51 (3.9267074312747915E-19,-8.542091383898277E-9) 51 (-4.796163466380676E-20,-7.485918369155896E-21) 51 (1.4351782151142044E-20,4.307665335545606E-20) Unsymmetrized in crystal axis ( 0.06876 -0.01625 -0.01148 ) ( -0.01625 0.08074 -0.01912 ) ( -0.01148 -0.01912 0.07030 ) Symmetrized in crystal axis ( 0.06876 -0.01625 -0.01148 ) ( -0.01625 0.08074 -0.01912 ) ( -0.01148 -0.01912 0.07030 ) Dielectric constant in cartesian axis ( 0.073269674 0.000000000 0.000000000 ) ( 0.000000000 0.073269674 0.000000000 ) ( 0.000000000 0.000000000 0.073269674 ) POLA SCA (0.00008719009480275848,0.) POLA SCA (0.00008719009480275848,0.) POLA SCA (0.00008719009480275848,0.) HEAD: 4.329896907216495 0.0732696738595597 0.0732696738595597 0.0732696738595597 E_HEAD : 52 52 (3.960252847083056E-19,-8.782201468875872E-9) 52 (5.1070259132757214E-20,-1.6429792198773257E-21) 52 (3.260997437590251E-20,-1.465494392505207E-20) Unsymmetrized in crystal axis ( 0.06280 -0.01481 -0.01046 ) ( -0.01481 0.07372 -0.01743 ) ( -0.01046 -0.01743 0.06420 ) Symmetrized in crystal axis ( 0.06280 -0.01481 -0.01046 ) ( -0.01481 0.07372 -0.01743 ) ( -0.01046 -0.01743 0.06420 ) Dielectric constant in cartesian axis ( 0.066905392 0.000000000 0.000000000 ) ( 0.000000000 0.066905392 0.000000000 ) ( 0.000000000 0.000000000 0.066905392 ) POLA SCA (0.00007495987937214155,0.) POLA SCA (0.00007495987937214152,0.) POLA SCA (0.00007495987937214152,0.) HEAD: 4.536082474226804 0.0669053923630429 0.0669053923630429 0.06690539236304288 E_HEAD : 53 53 (3.88865635741176E-19,-8.886849180209656E-9) 53 (5.007105841059457E-20,-1.3385767544578115E-21) 53 (-4.673768984271619E-21,-1.0658141036401503E-19) Unsymmetrized in crystal axis ( 0.05758 -0.01355 -0.00957 ) ( -0.01355 0.06757 -0.01595 ) ( -0.00957 -0.01595 0.05886 ) Symmetrized in crystal axis ( 0.05758 -0.01355 -0.00957 ) ( -0.01355 0.06757 -0.01595 ) ( -0.00957 -0.01595 0.05886 ) Dielectric constant in cartesian axis ( 0.061335900 0.000000000 0.000000000 ) ( 0.000000000 0.061335900 0.000000000 ) ( 0.000000000 0.000000000 0.061335900 ) POLA SCA (0.00006483964198453982,0.) POLA SCA (0.0000648396419845398,0.) POLA SCA (0.00006483964198453984,0.) HEAD: 4.742268041237113 0.06133590029604069 0.06133590029604066 0.06133590029604064 E_HEAD : 54 54 (2.820046889099897E-19,-8.893317905042777E-9) 54 (3.241851231905457E-20,1.709418366677585E-20) 54 (-2.9109875419170133E-20,-3.552713678800501E-20) Unsymmetrized in crystal axis ( 0.05298 -0.01245 -0.00879 ) ( -0.01245 0.06216 -0.01465 ) ( -0.00879 -0.01465 0.05416 ) Symmetrized in crystal axis ( 0.05298 -0.01245 -0.00879 ) ( -0.01245 0.06216 -0.01465 ) ( -0.00879 -0.01465 0.05416 ) Dielectric constant in cartesian axis ( 0.056434156 0.000000000 0.000000000 ) ( 0.000000000 0.056434156 0.000000000 ) ( 0.000000000 0.000000000 0.056434156 ) POLA SCA (0.00005639989566055209,0.) POLA SCA (0.00005639989566055209,0.) POLA SCA (0.000056399895660552086,0.) HEAD: 4.948453608247423 0.05643415561413703 0.05643415561413704 0.056434155614137026 E_HEAD : 55 55 (2.94862299488438E-19,-8.82901517590118E-9) 55 (4.8072656966269285E-20,-1.3517587046994566E-20) 55 (-9.700214694511347E-21,-1.731947918415244E-20) Unsymmetrized in crystal axis ( 0.04891 -0.01148 -0.00810 ) ( -0.01148 0.05738 -0.01350 ) ( -0.00810 -0.01350 0.05000 ) Symmetrized in crystal axis ( 0.04891 -0.01148 -0.00810 ) ( -0.01148 0.05738 -0.01350 ) ( -0.00810 -0.01350 0.05000 ) Dielectric constant in cartesian axis ( 0.052097513 0.000000000 0.000000000 ) ( 0.000000000 0.052097513 0.000000000 ) ( 0.000000000 0.000000000 0.052097513 ) POLA SCA (0.00004931125788841558,0.) POLA SCA (0.00004931125788841558,0.) POLA SCA (0.00004931125788841558,0.) HEAD: 5.154639175257731 0.052097513285624016 0.052097513285624 0.05209751328562403 E_HEAD : 56 56 (2.6249444109680087E-19,-8.714195431561267E-9) 56 (1.0991207943789057E-20,-5.788146705503059E-20) 56 (5.208554485176953E-20,4.973799150320702E-20) Unsymmetrized in crystal axis ( 0.04530 -0.01061 -0.00749 ) ( -0.01061 0.05312 -0.01249 ) ( -0.00749 -0.01249 0.04631 ) Symmetrized in crystal axis ( 0.04530 -0.01061 -0.00749 ) ( -0.01061 0.05312 -0.01249 ) ( -0.00749 -0.01249 0.04631 ) Dielectric constant in cartesian axis ( 0.048242315 0.000000000 0.000000000 ) ( 0.000000000 0.048242315 0.000000000 ) ( 0.000000000 0.000000000 0.048242315 ) POLA SCA (0.000043318332288235834,0.) POLA SCA (0.00004331833228823583,0.) POLA SCA (0.00004331833228823584,0.) HEAD: 5.360824742268041 0.048242315086365624 0.04824231508636561 0.04824231508636564 E_HEAD : 57 57 (2.273100888996452E-19,-8.563888567836744E-9) 57 (1.2656542480726785E-20,4.055143765200361E-20) 57 (9.909458302262762E-21,5.817568649035821E-20) Unsymmetrized in crystal axis ( 0.04207 -0.00984 -0.00695 ) ( -0.00984 0.04933 -0.01158 ) ( -0.00695 -0.01158 0.04301 ) Symmetrized in crystal axis ( 0.04207 -0.00984 -0.00695 ) ( -0.00984 0.04933 -0.01158 ) ( -0.00695 -0.01158 0.04301 ) Dielectric constant in cartesian axis ( 0.044799828 0.000000000 0.000000000 ) ( 0.000000000 0.044799828 0.000000000 ) ( 0.000000000 0.000000000 0.044799828 ) POLA SCA (0.00003822108485047862,0.) POLA SCA (0.000038221084850478625,0.) POLA SCA (0.000038221084850478625,0.) HEAD: 5.56701030927835 0.04479982797555862 0.0447998279755586 0.04479982797555861 E_HEAD : 58 58 (2.326558015167253E-19,-8.389279854363218E-9) 58 (2.19824158875781E-20,2.8025143851092594E-20) 58 (-1.4645034221904344E-20,-5.773159728050815E-20) Unsymmetrized in crystal axis ( 0.03917 -0.00915 -0.00646 ) ( -0.00915 0.04592 -0.01077 ) ( -0.00646 -0.01077 0.04004 ) Symmetrized in crystal axis ( 0.03917 -0.00915 -0.00646 ) ( -0.00915 0.04592 -0.01077 ) ( -0.00646 -0.01077 0.04004 ) Dielectric constant in cartesian axis ( 0.041713160 0.000000000 0.000000000 ) ( 0.000000000 0.041713160 0.000000000 ) ( 0.000000000 0.000000000 0.041713160 ) POLA SCA (0.000033861382574765914,0.) POLA SCA (0.00003386138257476593,0.) POLA SCA (0.00003386138257476597,0.) HEAD: 5.77319587628866 0.04171316045335332 0.04171316045335332 0.04171316045335332 E_HEAD : 59 59 (1.8422638876209577E-19,-8.198706441483573E-9) 59 (3.9301895071730546E-20,3.056809557742761E-20) 59 (2.435898011458407E-20,4.7517545453956705E-20) Unsymmetrized in crystal axis ( 0.03657 -0.00853 -0.00603 ) ( -0.00853 0.04286 -0.01004 ) ( -0.00603 -0.01004 0.03738 ) Symmetrized in crystal axis ( 0.03657 -0.00853 -0.00603 ) ( -0.00853 0.04286 -0.01004 ) ( -0.00603 -0.01004 0.03738 ) Dielectric constant in cartesian axis ( 0.038934897 0.000000000 0.000000000 ) ( 0.000000000 0.038934897 0.000000000 ) ( 0.000000000 0.000000000 0.038934897 ) POLA SCA (0.000030113140546157572,0.) POLA SCA (0.000030113140546157575,0.) POLA SCA (0.00003011314054615749,0.) HEAD: 5.979381443298969 0.03893489695794911 0.038934896957949106 0.0389348969579491 E_HEAD : 60 60 (1.7087387463555174E-19,-7.998383129929288E-9) 60 (1.8873791418627684E-21,2.8771459286962436E-20) 60 (-3.750301239694969E-20,3.04201108747293E-20) Unsymmetrized in crystal axis ( 0.03421 -0.00797 -0.00563 ) ( -0.00797 0.04009 -0.00938 ) ( -0.00563 -0.00938 0.03497 ) Symmetrized in crystal axis ( 0.03421 -0.00797 -0.00563 ) ( -0.00797 0.04009 -0.00938 ) ( -0.00563 -0.00938 0.03497 ) Dielectric constant in cartesian axis ( 0.036425266 0.000000000 0.000000000 ) ( 0.000000000 0.036425266 0.000000000 ) ( 0.000000000 0.000000000 0.036425266 ) POLA SCA (0.000026875025761933374,0.) POLA SCA (0.000026875025761933374,0.) POLA SCA (0.000026875025761933374,0.) HEAD: 6.185567010309278 0.03642526551840835 0.03642526551840833 0.036425265518408335 E_HEAD : 61 61 (1.835531884564141E-19,-7.792935056934016E-9) 61 (2.6201263381153693E-20,-2.8345163486477112E-21) 61 (2.5180006503379704E-20,-3.419486915845483E-20) Unsymmetrized in crystal axis ( 0.03208 -0.00747 -0.00527 ) ( -0.00747 0.03759 -0.00879 ) ( -0.00527 -0.00879 0.03279 ) Symmetrized in crystal axis ( 0.03208 -0.00747 -0.00527 ) ( -0.00747 0.03759 -0.00879 ) ( -0.00527 -0.00879 0.03279 ) Dielectric constant in cartesian axis ( 0.034150706 0.000000000 0.000000000 ) ( 0.000000000 0.034150706 0.000000000 ) ( 0.000000000 0.000000000 0.034150706 ) POLA SCA (0.000024064995562430345,0.) POLA SCA (0.000024064995562430345,0.) POLA SCA (0.000024064995562430345,0.) HEAD: 6.391752577319587 0.03415070566551413 0.03415070566551414 0.03415070566551413 E_HEAD : 62 62 (2.1011304399681314E-19,-7.585791469904013E-9) 62 (-1.587618925213974E-20,6.335012352074116E-21) 62 (4.4935097851840637E-20,-3.486100297322992E-20) Unsymmetrized in crystal axis ( 0.03014 -0.00701 -0.00495 ) ( -0.00701 0.03531 -0.00825 ) ( -0.00495 -0.00825 0.03080 ) Symmetrized in crystal axis ( 0.03014 -0.00701 -0.00495 ) ( -0.00701 0.03531 -0.00825 ) ( -0.00495 -0.00825 0.03080 ) Dielectric constant in cartesian axis ( 0.032082740 0.000000000 0.000000000 ) ( 0.000000000 0.032082740 0.000000000 ) ( 0.000000000 0.000000000 0.032082740 ) POLA SCA (0.000021616168059304033,0.) POLA SCA (0.00002161616805930403,0.) POLA SCA (0.000021616168059304033,0.) HEAD: 6.597938144329897 0.032082739763643724 0.03208273976364372 0.03208273976364372 E_HEAD : 63 63 (2.0075106169872213E-19,-7.3794787054866094E-9) 63 (1.7208456881689932E-20,-2.8512452493559836E-20) 63 (2.1272769249148725E-21,-3.1086244689504386E-21) Unsymmetrized in crystal axis ( 0.02837 -0.00659 -0.00466 ) ( -0.00659 0.03323 -0.00775 ) ( -0.00466 -0.00775 0.02900 ) Symmetrized in crystal axis ( 0.02837 -0.00659 -0.00466 ) ( -0.00659 0.03323 -0.00775 ) ( -0.00466 -0.00775 0.02900 ) Dielectric constant in cartesian axis ( 0.030197076 0.000000000 0.000000000 ) ( 0.000000000 0.030197076 0.000000000 ) ( 0.000000000 0.000000000 0.030197076 ) POLA SCA (0.000019473670314647987,0.) POLA SCA (0.000019473670314647987,0.) POLA SCA (0.000019473670314647987,0.) HEAD: 6.804123711340206 0.030197076491883214 0.030197076491883208 0.0301970764918832 E_HEAD : 64 64 (1.925872466875686E-19,-7.1758394840855125E-9) 64 (3.869127240818671E-20,6.4236861137398004E-21) 64 (1.7912000594794775E-20,8.881784197001253E-20) Unsymmetrized in crystal axis ( 0.02675 -0.00621 -0.00439 ) ( -0.00621 0.03133 -0.00731 ) ( -0.00439 -0.00731 0.02734 ) Symmetrized in crystal axis ( 0.02675 -0.00621 -0.00439 ) ( -0.00621 0.03133 -0.00731 ) ( -0.00439 -0.00731 0.02734 ) Dielectric constant in cartesian axis ( 0.028472893 0.000000000 0.000000000 ) ( 0.000000000 0.028472893 0.000000000 ) ( 0.000000000 0.000000000 0.028472893 ) POLA SCA (0.000017592211630735597,0.) POLA SCA (0.000017592211630735597,0.) POLA SCA (0.000017592211630735597,0.) HEAD: 7.010309278350515 0.028472893487669407 0.028472893487669418 0.028472893487669418 E_HEAD : 65 65 (2.006866342486722E-19,-6.976197924711603E-9) 65 (-5.995204332975847E-20,2.9683210845342888E-21) 65 (-3.7729461361442207E-20,4.529709940470639E-20) Unsymmetrized in crystal axis ( 0.02526 -0.00586 -0.00414 ) ( -0.00586 0.02959 -0.00689 ) ( -0.00414 -0.00689 0.02582 ) Symmetrized in crystal axis ( 0.02526 -0.00586 -0.00414 ) ( -0.00586 0.02959 -0.00689 ) ( -0.00414 -0.00689 0.02582 ) Dielectric constant in cartesian axis ( 0.026892259 0.000000000 0.000000000 ) ( 0.000000000 0.026892259 0.000000000 ) ( 0.000000000 0.000000000 0.026892259 ) POLA SCA (0.00001593419977301829,0.) POLA SCA (0.00001593419977301829,0.) POLA SCA (0.000015934199773018298,0.) HEAD: 7.216494845360824 0.026892259386841578 0.026892259386841578 0.02689225938684159 E_HEAD : 66 66 (1.7126931008565397E-19,-6.781484324967614E-9) 66 (3.0531133177191807E-20,-2.6059365668972576E-20) 66 (-1.135826514514939E-20,-2.2204460492503135E-20) Unsymmetrized in crystal axis ( 0.02390 -0.00554 -0.00391 ) ( -0.00554 0.02799 -0.00652 ) ( -0.00391 -0.00652 0.02443 ) Symmetrized in crystal axis ( 0.02390 -0.00554 -0.00391 ) ( -0.00554 0.02799 -0.00652 ) ( -0.00391 -0.00652 0.02443 ) Dielectric constant in cartesian axis ( 0.025439665 0.000000000 0.000000000 ) ( 0.000000000 0.025439665 0.000000000 ) ( 0.000000000 0.000000000 0.025439665 ) POLA SCA (0.000014468267391696029,0.) POLA SCA (0.000014468267391696032,0.) POLA SCA (0.000014468267391696043,0.) HEAD: 7.422680412371133 0.02543966515050207 0.02543966515050207 0.02543966515050207 E_HEAD : 67 67 (1.6188164241415992E-19,-6.59232992183123E-9) 67 (2.8921309791485327E-20,1.844850994009667E-20) 67 (-1.2845668235417742E-20,5.329070518200751E-21) Unsymmetrized in crystal axis ( 0.02264 -0.00524 -0.00370 ) ( -0.00524 0.02651 -0.00617 ) ( -0.00370 -0.00617 0.02315 ) Symmetrized in crystal axis ( 0.02264 -0.00524 -0.00370 ) ( -0.00524 0.02651 -0.00617 ) ( -0.00370 -0.00617 0.02315 ) Dielectric constant in cartesian axis ( 0.024101642 0.000000000 0.000000000 ) ( 0.000000000 0.024101642 0.000000000 ) ( 0.000000000 0.000000000 0.024101642 ) POLA SCA (0.000013168110985618828,0.) POLA SCA (0.000013168110985618828,0.) POLA SCA (0.00001316811098561883,0.) HEAD: 7.628865979381443 0.024101641690033402 0.024101641690033416 0.024101641690033412 E_HEAD : 68 68 (1.8212283150911047E-19,-6.409139126021813E-9) 68 (-7.105427357601002E-21,-2.6582673211698122E-20) 68 (3.161517388402174E-20,1.7319479184152445E-20) Unsymmetrized in crystal axis ( 0.02148 -0.00497 -0.00351 ) ( -0.00497 0.02515 -0.00585 ) ( -0.00351 -0.00585 0.02196 ) Symmetrized in crystal axis ( 0.02148 -0.00497 -0.00351 ) ( -0.00497 0.02515 -0.00585 ) ( -0.00351 -0.00585 0.02196 ) Dielectric constant in cartesian axis ( 0.022866446 0.000000000 0.000000000 ) ( 0.000000000 0.022866446 0.000000000 ) ( 0.000000000 0.000000000 0.022866446 ) POLA SCA (0.000012011569899676672,0.) POLA SCA (0.000012011569899676672,0.) POLA SCA (0.000012011569899676672,0.) HEAD: 7.835051546391752 0.022866446100192766 0.02286644610019276 0.02286644610019277 E_HEAD : 69 69 (1.3351872884351343E-19,-6.232144768553051E-9) 69 (1.9095836023552693E-20,-2.978750177697357E-20) 69 (1.957491486743463E-20,-7.105427357601E-21) Unsymmetrized in crystal axis ( 0.02041 -0.00472 -0.00333 ) ( -0.00472 0.02390 -0.00555 ) ( -0.00333 -0.00555 0.02086 ) Symmetrized in crystal axis ( 0.02041 -0.00472 -0.00333 ) ( -0.00472 0.02390 -0.00555 ) ( -0.00333 -0.00555 0.02086 ) Dielectric constant in cartesian axis ( 0.021723803 0.000000000 0.000000000 ) ( 0.000000000 0.021723803 0.000000000 ) ( 0.000000000 0.000000000 0.021723803 ) POLA SCA (0.000010979891052312062,0.) POLA SCA (0.000010979891052312062,0.) POLA SCA (0.000010979891052312059,0.) HEAD: 8.041237113402062 0.02172380278634813 0.021723802786348126 0.02172380278634813 E_HEAD : 70 70 (1.2190345154689341E-19,-6.061450461526453E-9) 70 (-2.8810287489022814E-20,3.4580914165044864E-20) 70 (4.570884259682273E-21,-3.9745984281580613E-20) Unsymmetrized in crystal axis ( 0.01942 -0.00449 -0.00317 ) ( -0.00449 0.02273 -0.00528 ) ( -0.00317 -0.00528 0.01985 ) Symmetrized in crystal axis ( 0.01942 -0.00449 -0.00317 ) ( -0.00449 0.02273 -0.00528 ) ( -0.00317 -0.00528 0.01985 ) Dielectric constant in cartesian axis ( 0.020664689 0.000000000 0.000000000 ) ( 0.000000000 0.020664689 0.000000000 ) ( 0.000000000 0.000000000 0.020664689 ) POLA SCA (0.000010057138392093924,0.) POLA SCA (0.000010057138392093924,0.) POLA SCA (0.000010057138392093923,0.) HEAD: 8.24742268041237 0.020664688779671238 0.02066468877967124 0.02066468877967124 E_HEAD : 71 71 (1.7178455941014903E-19,-5.897063147724869E-9) 71 (1.4321877017664524E-20,-1.3393973176254641E-20) 71 (3.445031888993499E-20,2.442490654175345E-20) Unsymmetrized in crystal axis ( 0.01849 -0.00427 -0.00302 ) ( -0.00427 0.02165 -0.00503 ) ( -0.00302 -0.00503 0.01890 ) Symmetrized in crystal axis ( 0.01849 -0.00427 -0.00302 ) ( -0.00427 0.02165 -0.00503 ) ( -0.00302 -0.00503 0.01890 ) Dielectric constant in cartesian axis ( 0.019681155 0.000000000 0.000000000 ) ( 0.000000000 0.019681155 0.000000000 ) ( 0.000000000 0.000000000 0.019681155 ) POLA SCA (0.000009229715887284609,0.) POLA SCA (0.00000922971588728461,0.) POLA SCA (0.000009229715887284604,0.) HEAD: 8.45360824742268 0.019681154826611546 0.019681154826611542 0.019681154826611546 E_HEAD : 72 72 (1.2622418659843212E-19,-5.7389181529738935E-9) 72 (2.592370762499741E-20,-3.2184605017703244E-21) 72 (3.713461923934307E-21,1.465494392505206E-20) Unsymmetrized in crystal axis ( 0.01763 -0.00407 -0.00288 ) ( -0.00407 0.02064 -0.00479 ) ( -0.00288 -0.00479 0.01802 ) Symmetrized in crystal axis ( 0.01763 -0.00407 -0.00288 ) ( -0.00407 0.02064 -0.00479 ) ( -0.00288 -0.00479 0.01802 ) Dielectric constant in cartesian axis ( 0.018766176 0.000000000 0.000000000 ) ( 0.000000000 0.018766176 0.000000000 ) ( 0.000000000 0.000000000 0.018766176 ) POLA SCA (0.000008485980139475623,0.) POLA SCA (0.000008485980139475623,0.) POLA SCA (0.000008485980139475618,0.) HEAD: 8.65979381443299 0.018766175598912086 0.018766175598912086 0.018766175598912086 E_HEAD : 73 73 (1.1780488404048576E-19,-5.586898474861601E-9) 73 (-1.942890293094028E-21,-2.140280204144206E-21) 73 (-9.280155835844669E-21,1.8873791418627663E-20) Unsymmetrized in crystal axis ( 0.01683 -0.00388 -0.00274 ) ( -0.00388 0.01970 -0.00457 ) ( -0.00274 -0.00457 0.01721 ) Symmetrized in crystal axis ( 0.01683 -0.00388 -0.00274 ) ( -0.00388 0.01970 -0.00457 ) ( -0.00274 -0.00457 0.01721 ) Dielectric constant in cartesian axis ( 0.017913524 0.000000000 0.000000000 ) ( 0.000000000 0.017913524 0.000000000 ) ( 0.000000000 0.000000000 0.017913524 ) POLA SCA (0.000007815924170809374,0.) POLA SCA (0.000007815924170809374,0.) POLA SCA (0.000007815924170809364,0.) HEAD: 8.865979381443298 0.0179135237307424 0.017913523730742398 0.0179135237307424 E_HEAD : 74 74 (1.4544532703832483E-19,-5.440849640969193E-9) 74 (9.936496070395155E-21,-1.9754727388991407E-20) 74 (6.391012479543956E-21,-1.7763568394002506E-20) Unsymmetrized in crystal axis ( 0.01609 -0.00371 -0.00262 ) ( -0.00371 0.01882 -0.00436 ) ( -0.00262 -0.00436 0.01644 ) Symmetrized in crystal axis ( 0.01609 -0.00371 -0.00262 ) ( -0.00371 0.01882 -0.00436 ) ( -0.00262 -0.00436 0.01644 ) Dielectric constant in cartesian axis ( 0.017117663 0.000000000 0.000000000 ) ( 0.000000000 0.017117663 0.000000000 ) ( 0.000000000 0.000000000 0.017117663 ) POLA SCA (0.000007210918053402651,0.) POLA SCA (0.000007210918053402652,0.) POLA SCA (0.0000072109180534026625,0.) HEAD: 9.072164948453608 0.017117663447778767 0.01711766344777877 0.01711766344777877 E_HEAD : 75 75 (1.2912715698150585E-19,-5.300591138102329E-9) 75 (-1.820765760385257E-20,6.502036661360823E-21) 75 (-8.51871126657123E-21,-8.881784197001256E-21) Unsymmetrized in crystal axis ( 0.01539 -0.00355 -0.00251 ) ( -0.00355 0.01801 -0.00417 ) ( -0.00251 -0.00417 0.01573 ) Symmetrized in crystal axis ( 0.01539 -0.00355 -0.00251 ) ( -0.00355 0.01801 -0.00417 ) ( -0.00251 -0.00417 0.01573 ) Dielectric constant in cartesian axis ( 0.016373660 0.000000000 0.000000000 ) ( 0.000000000 0.016373660 0.000000000 ) ( 0.000000000 0.000000000 0.016373660 ) POLA SCA (0.0000066634951799763726,0.) POLA SCA (0.000006663495179976372,0.) POLA SCA (0.0000066634951799763726,0.) HEAD: 9.278350515463917 0.01637366038141216 0.01637366038141215 0.016373660381412154 E_HEAD : 76 76 (1.5848430983699085E-19,-5.165925195049105E-9) 76 (2.775557561562892E-21,-1.2561035386638245E-20) 76 (8.157158892630427E-22,6.2172489379008735E-21) Unsymmetrized in crystal axis ( 0.01473 -0.00339 -0.00240 ) ( -0.00339 0.01724 -0.00399 ) ( -0.00240 -0.00399 0.01506 ) Symmetrized in crystal axis ( 0.01473 -0.00339 -0.00240 ) ( -0.00339 0.01724 -0.00399 ) ( -0.00240 -0.00399 0.01506 ) Dielectric constant in cartesian axis ( 0.015677105 0.000000000 0.000000000 ) ( 0.000000000 0.015677105 0.000000000 ) ( 0.000000000 0.000000000 0.015677105 ) POLA SCA (0.000006167175369660938,0.) POLA SCA (0.000006167175369660937,0.) POLA SCA (0.000006167175369660937,0.) HEAD: 9.484536082474227 0.0156771048134642 0.015677104813464206 0.015677104813464206 E_HEAD : 77 77 (9.798972338108288E-20,-5.036643500533066E-9) 77 (3.641531520770513E-20,1.2013309472230131E-21) 77 (-1.231481680550571E-20,8.659739592076222E-21) Unsymmetrized in crystal axis ( 0.01412 -0.00325 -0.00230 ) ( -0.00325 0.01652 -0.00382 ) ( -0.00230 -0.00382 0.01443 ) Symmetrized in crystal axis ( 0.01412 -0.00325 -0.00230 ) ( -0.00325 0.01652 -0.00382 ) ( -0.00230 -0.00382 0.01443 ) Dielectric constant in cartesian axis ( 0.015024046 0.000000000 0.000000000 ) ( 0.000000000 0.015024046 0.000000000 ) ( 0.000000000 0.000000000 0.015024046 ) POLA SCA (0.000005716317846976958,0.) POLA SCA (0.000005716317846976959,0.) POLA SCA (0.000005716317846976958,0.) HEAD: 9.690721649484535 0.01502404611317885 0.01502404611317885 0.01502404611317885 E_HEAD : 78 78 (8.58455005614155E-20,-4.9125323231826736E-9) 78 (-2.1094237467877983E-21,7.30734661851795E-21) 78 (-1.2298058126295386E-20,-4.107825191113077E-21) Unsymmetrized in crystal axis ( 0.01354 -0.00312 -0.00220 ) ( -0.00312 0.01585 -0.00367 ) ( -0.00220 -0.00367 0.01384 ) Symmetrized in crystal axis ( 0.01354 -0.00312 -0.00220 ) ( -0.00312 0.01585 -0.00367 ) ( -0.00220 -0.00367 0.01384 ) Dielectric constant in cartesian axis ( 0.014410937 0.000000000 0.000000000 ) ( 0.000000000 0.014410937 0.000000000 ) ( 0.000000000 0.000000000 0.014410937 ) POLA SCA (0.000005305998560452779,0.) POLA SCA (0.000005305998560452778,0.) POLA SCA (0.000005305998560452778,0.) HEAD: 9.896907216494846 0.014410936539297176 0.014410936539297177 0.014410936539297176 E_HEAD : 79 79 (1.0053561357039809E-19,-4.793376393590232E-9) 79 (8.548717289613706E-21,-5.007949951743042E-21) 79 (-9.529104112998627E-21,1.4210854715202006E-20) Unsymmetrized in crystal axis ( 0.01300 -0.00299 -0.00211 ) ( -0.00299 0.01521 -0.00352 ) ( -0.00211 -0.00352 0.01329 ) Symmetrized in crystal axis ( 0.01300 -0.00299 -0.00211 ) ( -0.00299 0.01521 -0.00352 ) ( -0.00211 -0.00352 0.01329 ) Dielectric constant in cartesian axis ( 0.013834583 0.000000000 0.000000000 ) ( 0.000000000 0.013834583 0.000000000 ) ( 0.000000000 0.000000000 0.013834583 ) POLA SCA (0.0000049319074203004015,0.) POLA SCA (0.000004931907420300401,0.) POLA SCA (0.0000049319074203004015,0.) HEAD: 10.103092783505154 0.01383458290888052 0.013834582908880516 0.013834582908880512 E_HEAD : 80 80 (9.682700689565178E-20,-4.6789618037969E-9) 80 (4.829470157119432E-21,-1.082792656721714E-20) 80 (1.194643191970522E-20,8.881784197001253E-21) Unsymmetrized in crystal axis ( 0.01249 -0.00287 -0.00203 ) ( -0.00287 0.01461 -0.00338 ) ( -0.00203 -0.00338 0.01277 ) Symmetrized in crystal axis ( 0.01249 -0.00287 -0.00203 ) ( -0.00287 0.01461 -0.00338 ) ( -0.00203 -0.00338 0.01277 ) Dielectric constant in cartesian axis ( 0.013292105 0.000000000 0.000000000 ) ( 0.000000000 0.013292105 0.000000000 ) ( 0.000000000 0.000000000 0.013292105 ) POLA SCA (0.000004590261906509182,0.) POLA SCA (0.000004590261906509182,0.) POLA SCA (0.0000045902619065091824,0.) HEAD: 10.309278350515463 0.013292104898936624 0.01329210489893663 0.013292104898936627 E_HEAD : 81 81 (9.060268946146773E-20,-4.569078166287655E-9) 81 (1.2351231148954869E-20,2.4705237918998766E-21) 81 (-1.4431762244569795E-20,2.6090241078691184E-20) Unsymmetrized in crystal axis ( 0.01201 -0.00276 -0.00195 ) ( -0.00276 0.01405 -0.00325 ) ( -0.00195 -0.00325 0.01228 ) Symmetrized in crystal axis ( 0.01201 -0.00276 -0.00195 ) ( -0.00276 0.01405 -0.00325 ) ( -0.00195 -0.00325 0.01228 ) Dielectric constant in cartesian axis ( 0.012780899 0.000000000 0.000000000 ) ( 0.000000000 0.012780899 0.000000000 ) ( 0.000000000 0.000000000 0.012780899 ) POLA SCA (0.000004277734185431213,0.) POLA SCA (0.000004277734185431212,0.) POLA SCA (0.000004277734185431219,0.) HEAD: 10.515463917525773 0.012780898960459704 0.012780898960459705 0.01278089896045971 E_HEAD : 82 82 (1.1542908512430588E-19,-4.463520173852154E-9) 82 (8.881784197001253E-21,2.0868277929610293E-20) 82 (2.461664687539434E-21,-3.219646771412956E-21) Unsymmetrized in crystal axis ( 0.01156 -0.00266 -0.00188 ) ( -0.00266 0.01352 -0.00312 ) ( -0.00188 -0.00312 0.01181 ) Symmetrized in crystal axis ( 0.01156 -0.00266 -0.00188 ) ( -0.00266 0.01352 -0.00312 ) ( -0.00188 -0.00312 0.01181 ) Dielectric constant in cartesian axis ( 0.012298607 0.000000000 0.000000000 ) ( 0.000000000 0.012298607 0.000000000 ) ( 0.000000000 0.000000000 0.012298607 ) POLA SCA (0.000003991389416503043,0.) POLA SCA (0.000003991389416503044,0.) POLA SCA (0.000003991389416503043,0.) HEAD: 10.721649484536082 0.012298606997762267 0.012298606997762267 0.012298606997762258 E_HEAD : 83 83 (8.568860224214831E-20,-4.362088711372226E-9) 83 (5.107025913275722E-21,2.0274792383715747E-20) 83 (8.37245746246573E-21,4.3298697960381104E-21) Unsymmetrized in crystal axis ( 0.01113 -0.00256 -0.00181 ) ( -0.00256 0.01302 -0.00301 ) ( -0.00181 -0.00301 0.01138 ) Symmetrized in crystal axis ( 0.01113 -0.00256 -0.00181 ) ( -0.00256 0.01302 -0.00301 ) ( -0.00181 -0.00301 0.01138 ) Dielectric constant in cartesian axis ( 0.011843089 0.000000000 0.000000000 ) ( 0.000000000 0.011843089 0.000000000 ) ( 0.000000000 0.000000000 0.011843089 ) POLA SCA (0.0000037286333630856674,0.) POLA SCA (0.0000037286333630856674,0.) POLA SCA (0.0000037286333630856687,0.) HEAD: 10.927835051546392 0.011843089107161175 0.011843089107161177 0.011843089107161172 E_HEAD : 84 84 (8.770878132938337E-20,-4.264591606760516E-9) 84 (4.440892098500628E-21,-6.378588226743409E-21) 84 (7.007543277304229E-22,-5.884182030513332E-21) Unsymmetrized in crystal axis ( 0.01073 -0.00246 -0.00174 ) ( -0.00246 0.01255 -0.00290 ) ( -0.00174 -0.00290 0.01096 ) Symmetrized in crystal axis ( 0.01073 -0.00246 -0.00174 ) ( -0.00246 0.01255 -0.00290 ) ( -0.00174 -0.00290 0.01096 ) Dielectric constant in cartesian axis ( 0.011412400 0.000000000 0.000000000 ) ( 0.000000000 0.011412400 0.000000000 ) ( 0.000000000 0.000000000 0.011412400 ) POLA SCA (0.000003487167766864678,0.) POLA SCA (0.000003487167766864678,0.) POLA SCA (0.000003487167766864678,0.) HEAD: 11.1340206185567 0.011412399784596359 0.011412399784596362 0.011412399784596364 E_HEAD : 85 85 (7.138318465187149E-20,-4.170844114529504E-9) 85 (8.049116928532385E-21,-8.257380095647352E-21) 85 (-6.458981910477438E-21,-1.3433698597964394E-20) Unsymmetrized in crystal axis ( 0.01034 -0.00237 -0.00168 ) ( -0.00237 0.01210 -0.00279 ) ( -0.00168 -0.00279 0.01057 ) Symmetrized in crystal axis ( 0.01034 -0.00237 -0.00168 ) ( -0.00237 0.01210 -0.00279 ) ( -0.00168 -0.00279 0.01057 ) Dielectric constant in cartesian axis ( 0.011004767 0.000000000 0.000000000 ) ( 0.000000000 0.011004767 0.000000000 ) ( 0.000000000 0.000000000 0.011004767 ) POLA SCA (0.0000032649522225123306,0.) POLA SCA (0.000003264952222512331,0.) POLA SCA (0.000003264952222512331,0.) HEAD: 11.340206185567009 0.011004767106649492 0.011004767106649492 0.011004767106649492 E_HEAD : 86 86 (8.865695797249792E-20,-4.080669185508424E-9) 86 (7.494005416219809E-22,-5.6510994216152725E-21) 86 (-3.9458417734188296E-21,1.7541523789077475E-20) Unsymmetrized in crystal axis ( 0.00998 -0.00229 -0.00162 ) ( -0.00229 0.01167 -0.00269 ) ( -0.00162 -0.00269 0.01020 ) Symmetrized in crystal axis ( 0.00998 -0.00229 -0.00162 ) ( -0.00229 0.01167 -0.00269 ) ( -0.00162 -0.00269 0.01020 ) Dielectric constant in cartesian axis ( 0.010618574 0.000000000 0.000000000 ) ( 0.000000000 0.010618574 0.000000000 ) ( 0.000000000 0.000000000 0.010618574 ) POLA SCA (0.000003060171512784727,0.) POLA SCA (0.0000030601715127847264,0.) POLA SCA (0.000003060171512784727,0.) HEAD: 11.54639175257732 0.010618574467672526 0.010618574467672526 0.010618574467672526 E_HEAD : 87 87 (8.061751292782642E-20,-3.9938975765013155E-9) 87 (1.94844140821715E-20,-1.163813343360058E-20) 87 (1.3818316830494344E-20,3.774758283725533E-21) Unsymmetrized in crystal axis ( 0.00964 -0.00221 -0.00156 ) ( -0.00221 0.01127 -0.00260 ) ( -0.00156 -0.00260 0.00985 ) Symmetrized in crystal axis ( 0.00964 -0.00221 -0.00156 ) ( -0.00221 0.01127 -0.00260 ) ( -0.00156 -0.00260 0.00985 ) Dielectric constant in cartesian axis ( 0.010252345 0.000000000 0.000000000 ) ( 0.000000000 0.010252345 0.000000000 ) ( 0.000000000 0.000000000 0.010252345 ) POLA SCA (0.0000028712075450803266,0.) POLA SCA (0.000002871207545080326,0.) POLA SCA (0.000002871207545080326,0.) HEAD: 11.752577319587628 0.010252344520487894 0.010252344520487892 0.010252344520487894 E_HEAD : 88 88 (7.648088974645411E-20,-3.9103678356849916E-9) 88 (9.270362255620057E-21,1.5210561063094595E-20) 88 (6.999742964127854E-21,1.9206858326015212E-20) Unsymmetrized in crystal axis ( 0.00931 -0.00214 -0.00151 ) ( -0.00214 0.01089 -0.00251 ) ( -0.00151 -0.00251 0.00952 ) Symmetrized in crystal axis ( 0.00931 -0.00214 -0.00151 ) ( -0.00214 0.01089 -0.00251 ) ( -0.00151 -0.00251 0.00952 ) Dielectric constant in cartesian axis ( 0.009904725 0.000000000 0.000000000 ) ( 0.000000000 0.009904725 0.000000000 ) ( 0.000000000 0.000000000 0.009904725 ) POLA SCA (0.000002696615177420988,0.) POLA SCA (0.000002696615177420988,0.) POLA SCA (0.0000026966151774209885,0.) HEAD: 11.958762886597938 0.009904725021899296 0.009904725021899296 0.009904725021899296 E_HEAD : 89 89 (7.402560351952656E-20,-3.829926205364875E-9) 89 (-5.8286708792820706E-21,-3.991874374507405E-21) 89 (4.411023334500275E-22,-5.551115123125783E-22) Unsymmetrized in crystal axis ( 0.00900 -0.00206 -0.00146 ) ( -0.00206 0.01052 -0.00243 ) ( -0.00146 -0.00243 0.00920 ) Symmetrized in crystal axis ( 0.00900 -0.00206 -0.00146 ) ( -0.00206 0.01052 -0.00243 ) ( -0.00146 -0.00243 0.00920 ) Dielectric constant in cartesian axis ( 0.009574476 0.000000000 0.000000000 ) ( 0.000000000 0.009574476 0.000000000 ) ( 0.000000000 0.000000000 0.009574476 ) POLA SCA (0.000002535101341646355,0.) POLA SCA (0.0000025351013416463545,0.) POLA SCA (0.000002535101341646354,0.) HEAD: 12.164948453608247 0.00957447632906641 0.00957447632906641 0.00957447632906641 E_HEAD : 90 90 (6.213240302378281E-20,-3.752426445124163E-9) 90 (1.4849232954361472E-20,1.3516478624973745E-20) 90 (-5.026611146362239E-21,-1.9650947535865273E-20) Unsymmetrized in crystal axis ( 0.00871 -0.00200 -0.00141 ) ( -0.00200 0.01018 -0.00235 ) ( -0.00141 -0.00235 0.00890 ) Symmetrized in crystal axis ( 0.00871 -0.00200 -0.00141 ) ( -0.00200 0.01018 -0.00235 ) ( -0.00141 -0.00235 0.00890 ) Dielectric constant in cartesian axis ( 0.009260460 0.000000000 0.000000000 ) ( 0.000000000 0.009260460 0.000000000 ) ( 0.000000000 0.000000000 0.009260460 ) POLA SCA (0.000002385506969691235,0.) POLA SCA (0.0000023855069696912353,0.) POLA SCA (0.0000023855069696912353,0.) HEAD: 12.371134020618555 0.009260460330263603 0.009260460330263605 0.009260460330263606 E_HEAD : 91 91 (8.381191888943021E-20,-3.6777296171290884E-9) 91 (-2.220446049250306E-22,2.843757610451153E-20) 91 (-3.946793031123265E-21,-6.772360450213455E-21) Unsymmetrized in crystal axis ( 0.00842 -0.00193 -0.00136 ) ( -0.00193 0.00985 -0.00227 ) ( -0.00136 -0.00227 0.00861 ) Symmetrized in crystal axis ( 0.00842 -0.00193 -0.00136 ) ( -0.00193 0.00985 -0.00227 ) ( -0.00136 -0.00227 0.00861 ) Dielectric constant in cartesian axis ( 0.008961631 0.000000000 0.000000000 ) ( 0.000000000 0.008961631 0.000000000 ) ( 0.000000000 0.000000000 0.008961631 ) POLA SCA (0.0000022467913093719067,0.) POLA SCA (0.000002246791309371907,0.) POLA SCA (0.000002246791309371906,0.) HEAD: 12.577319587628866 0.0089616306249673 0.008961630624967304 0.0089616306249673 E_HEAD : 92 92 (7.091639784123533E-20,-3.6057038327981237E-9) 92 (5.1902926401226066E-21,-7.521602940781433E-21) 92 (-7.97079510062223E-21,-1.4488410471358293E-20) Unsymmetrized in crystal axis ( 0.00816 -0.00187 -0.00132 ) ( -0.00187 0.00954 -0.00220 ) ( -0.00132 -0.00220 0.00834 ) Symmetrized in crystal axis ( 0.00816 -0.00187 -0.00132 ) ( -0.00187 0.00954 -0.00220 ) ( -0.00132 -0.00220 0.00834 ) Dielectric constant in cartesian axis ( 0.008677024 0.000000000 0.000000000 ) ( 0.000000000 0.008677024 0.000000000 ) ( 0.000000000 0.000000000 0.008677024 ) POLA SCA (0.000002118018282495416,0.) POLA SCA (0.000002118018282495415,0.) POLA SCA (0.0000021180182824954185,0.) HEAD: 12.783505154639174 0.008677023794652093 0.008677023794652093 0.008677023794652093 E_HEAD : 93 93 (6.663561051778065E-20,-3.5362239788924167E-9) 93 (-4.440892098500609E-22,1.954263827993281E-21) 93 (-5.295113973196952E-21,-4.440892098500618E-22) Unsymmetrized in crystal axis ( 0.00790 -0.00181 -0.00128 ) ( -0.00181 0.00924 -0.00213 ) ( -0.00128 -0.00213 0.00808 ) Symmetrized in crystal axis ( 0.00790 -0.00181 -0.00128 ) ( -0.00181 0.00924 -0.00213 ) ( -0.00128 -0.00213 0.00808 ) Dielectric constant in cartesian axis ( 0.008405752 0.000000000 0.000000000 ) ( 0.000000000 0.008405752 0.000000000 ) ( 0.000000000 0.000000000 0.008405752 ) POLA SCA (0.0000019983445929949587,0.) POLA SCA (0.0000019983445929949583,0.) POLA SCA (0.000001998344592994958,0.) HEAD: 12.989690721649485 0.008405751627981113 0.008405751627981113 0.008405751627981113 E_HEAD : 94 94 (4.586025554748528E-20,-3.469171429852092E-9) 94 (5.551115123125785E-22,-1.3382491909352405E-20) 94 (1.0300408675173699E-20,1.5543122344752184E-21) Unsymmetrized in crystal axis ( 0.00766 -0.00175 -0.00124 ) ( -0.00175 0.00895 -0.00206 ) ( -0.00124 -0.00206 0.00783 ) Symmetrized in crystal axis ( 0.00766 -0.00175 -0.00124 ) ( -0.00175 0.00895 -0.00206 ) ( -0.00124 -0.00206 0.00783 ) Dielectric constant in cartesian axis ( 0.008146994 0.000000000 0.000000000 ) ( 0.000000000 0.008146994 0.000000000 ) ( 0.000000000 0.000000000 0.008146994 ) POLA SCA (0.0000018870093383191138,0.) POLA SCA (0.0000018870093383191136,0.) POLA SCA (0.000001887009338319113,0.) HEAD: 13.195876288659793 0.008146994182949363 0.008146994182949362 0.008146994182949362 E_HEAD : 95 95 (6.100083134454147E-20,-3.404433752205005E-9) 95 (1.8596235662471395E-21,-2.3620804135941747E-21) 95 (5.524838572915178E-21,-1.0769163338864017E-20) Unsymmetrized in crystal axis ( 0.00743 -0.00170 -0.00120 ) ( -0.00170 0.00868 -0.00200 ) ( -0.00120 -0.00200 0.00759 ) Symmetrized in crystal axis ( 0.00743 -0.00170 -0.00120 ) ( -0.00170 0.00868 -0.00200 ) ( -0.00120 -0.00200 0.00759 ) Dielectric constant in cartesian axis ( 0.007899994 0.000000000 0.000000000 ) ( 0.000000000 0.007899994 0.000000000 ) ( 0.000000000 0.000000000 0.007899994 ) POLA SCA (0.0000017833249151748016,0.) POLA SCA (0.0000017833249151748016,0.) POLA SCA (0.0000017833249151748056,0.) HEAD: 13.402061855670102 0.00789999358455278 0.00789999358455278 0.00789999358455278 E_HEAD : 96 96 (6.625062549157143E-20,-3.3419044131271226E-9) 96 (1.0713652187632764E-20,-3.8665730553178725E-22) 96 (1.6769763430532552E-21,-2.2759572004815717E-21) Unsymmetrized in crystal axis ( 0.00721 -0.00165 -0.00117 ) ( -0.00165 0.00842 -0.00194 ) ( -0.00117 -0.00194 0.00736 ) Symmetrized in crystal axis ( 0.00721 -0.00165 -0.00117 ) ( -0.00165 0.00842 -0.00194 ) ( -0.00117 -0.00194 0.00736 ) Dielectric constant in cartesian axis ( 0.007664048 0.000000000 0.000000000 ) ( 0.000000000 0.007664048 0.000000000 ) ( 0.000000000 0.000000000 0.007664048 ) POLA SCA (0.0000016866690423222213,0.) POLA SCA (0.0000016866690423222215,0.) POLA SCA (0.0000016866690423222215,0.) HEAD: 13.608247422680412 0.007664048470179143 0.007664048470179143 0.007664048470179142 E_HEAD : 97 97 (5.455171872828363E-20,-3.281482483461329E-9) 97 (-3.5804692544161326E-21,-6.126629012159757E-21) 97 (1.4036262378289817E-21,-1.931788062847773E-20) Unsymmetrized in crystal axis ( 0.00699 -0.00160 -0.00113 ) ( -0.00160 0.00818 -0.00188 ) ( -0.00113 -0.00188 0.00715 ) Symmetrized in crystal axis ( 0.00699 -0.00160 -0.00113 ) ( -0.00160 0.00818 -0.00188 ) ( -0.00113 -0.00188 0.00715 ) Dielectric constant in cartesian axis ( 0.007438509 0.000000000 0.000000000 ) ( 0.000000000 0.007438509 0.000000000 ) ( 0.000000000 0.000000000 0.007438509 ) POLA SCA (0.0000015964777495586745,0.) POLA SCA (0.0000015964777495586745,0.) POLA SCA (0.0000015964777495586745,0.) HEAD: 13.81443298969072 0.00743850900653719 0.007438509006537193 0.007438509006537193 E_HEAD : 98 98 (6.041042988118835E-20,-3.2230723551674445E-9) 98 (-5.634381849972671E-21,-7.594907686665883E-21) 98 (2.6061979559708242E-22,-5.329070518200752E-21) Unsymmetrized in crystal axis ( 0.00679 -0.00155 -0.00110 ) ( -0.00155 0.00794 -0.00183 ) ( -0.00110 -0.00183 0.00694 ) Symmetrized in crystal axis ( 0.00679 -0.00155 -0.00110 ) ( -0.00155 0.00794 -0.00183 ) ( -0.00110 -0.00183 0.00694 ) Dielectric constant in cartesian axis ( 0.007222772 0.000000000 0.000000000 ) ( 0.000000000 0.007222772 0.000000000 ) ( 0.000000000 0.000000000 0.007222772 ) POLA SCA (0.0000015122392042103562,0.) POLA SCA (0.0000015122392042103564,0.) POLA SCA (0.000001512239204210356,0.) HEAD: 14.02061855670103 0.007222772411876184 0.007222772411876188 0.007222772411876188 E_HEAD : 99 99 (5.967714105502988E-20,-3.166583458902805E-9) 99 (2.595146320061304E-21,6.396753112995074E-22) 99 (-7.96409493766055E-23,1.9428902930940242E-20) Unsymmetrized in crystal axis ( 0.00660 -0.00151 -0.00107 ) ( -0.00151 0.00771 -0.00178 ) ( -0.00107 -0.00178 0.00674 ) Symmetrized in crystal axis ( 0.00660 -0.00151 -0.00107 ) ( -0.00151 0.00771 -0.00178 ) ( -0.00107 -0.00178 0.00674 ) Dielectric constant in cartesian axis ( 0.007016279 0.000000000 0.000000000 ) ( 0.000000000 0.007016279 0.000000000 ) ( 0.000000000 0.000000000 0.007016279 ) POLA SCA (0.0000014334882651118037,0.) POLA SCA (0.0000014334882651118035,0.) POLA SCA (0.0000014334882651118033,0.) HEAD: 14.22680412371134 0.007016278925764963 0.0070162789257649655 0.007016278925764965 E_HEAD : 100 100 (5.4008086791609684E-20,-3.1119299970265306E-9) 100 (-1.5681900222830341E-21,5.902926287300916E-21) 100 (-1.5293494191309164E-21,-1.1934897514720433E-20) Unsymmetrized in crystal axis ( 0.00641 -0.00147 -0.00104 ) ( -0.00147 0.00749 -0.00172 ) ( -0.00104 -0.00172 0.00655 ) Symmetrized in crystal axis ( 0.00641 -0.00147 -0.00104 ) ( -0.00147 0.00749 -0.00172 ) ( -0.00104 -0.00172 0.00655 ) Dielectric constant in cartesian axis ( 0.006818508 0.000000000 0.000000000 ) ( 0.000000000 0.006818508 0.000000000 ) ( 0.000000000 0.000000000 0.006818508 ) POLA SCA (0.0000013598016697906044,0.) POLA SCA (0.0000013598016697906041,0.) POLA SCA (0.000001359801669790605,0.) HEAD: 14.432989690721648 0.006818508176016214 0.00681850817601621 0.006818508176016213 E_HEAD : 101 101 (6.287900066947568E-20,-3.059030682321773E-9) 101 (-3.913536161803677E-21,-5.199657330508332E-22) 101 (1.9257509122785783E-21,4.829470157119432E-21) Unsymmetrized in crystal axis ( 0.00623 -0.00143 -0.00101 ) ( -0.00143 0.00729 -0.00168 ) ( -0.00101 -0.00168 0.00637 ) Symmetrized in crystal axis ( 0.00623 -0.00143 -0.00101 ) ( -0.00143 0.00729 -0.00168 ) ( -0.00101 -0.00168 0.00637 ) Dielectric constant in cartesian axis ( 0.006628976 0.000000000 0.000000000 ) ( 0.000000000 0.006628976 0.000000000 ) ( 0.000000000 0.000000000 0.006628976 ) POLA SCA (0.0000012907937738821608,0.) POLA SCA (0.0000012907937738821613,0.) POLA SCA (0.000001290793773882162,0.) HEAD: 14.639175257731958 0.006628975898643058 0.006628975898643059 0.006628975898643059 E_HEAD : 102 102 (5.932227599987749E-20,-3.007808491656411E-9) 102 (-1.165734175856415E-21,-1.551526131353463E-21) 102 (8.617170574883417E-21,1.6098233857064764E-21) Unsymmetrized in crystal axis ( 0.00606 -0.00139 -0.00098 ) ( -0.00139 0.00709 -0.00163 ) ( -0.00098 -0.00163 0.00619 ) Symmetrized in crystal axis ( 0.00606 -0.00139 -0.00098 ) ( -0.00139 0.00709 -0.00163 ) ( -0.00098 -0.00163 0.00619 ) Dielectric constant in cartesian axis ( 0.006447231 0.000000000 0.000000000 ) ( 0.000000000 0.006447231 0.000000000 ) ( 0.000000000 0.000000000 0.006447231 ) POLA SCA (0.000001226112773077091,0.) POLA SCA (0.000001226112773077091,0.) POLA SCA (0.000001226112773077092,0.) HEAD: 14.845360824742267 0.006447230972172278 0.006447230972172274 0.006447230972172276 E_HEAD : 103 103 (5.997712937854309E-20,-2.9581904275285954E-9) 103 (1.0963452368173421E-20,8.074143046354606E-21) 103 (-8.635600158931098E-22,-1.0824674490095276E-20) Unsymmetrized in crystal axis ( 0.00590 -0.00135 -0.00095 ) ( -0.00135 0.00689 -0.00159 ) ( -0.00095 -0.00159 0.00603 ) Symmetrized in crystal axis ( 0.00590 -0.00135 -0.00095 ) ( -0.00135 0.00689 -0.00159 ) ( -0.00095 -0.00159 0.00603 ) Dielectric constant in cartesian axis ( 0.006272853 0.000000000 0.000000000 ) ( 0.000000000 0.006272853 0.000000000 ) ( 0.000000000 0.000000000 0.006272853 ) POLA SCA (0.0000011654373474856683,0.) POLA SCA (0.0000011654373474856683,0.) POLA SCA (0.000001165437347485666,0.) HEAD: 15.051546391752577 0.006272852732341687 0.006272852732341686 0.006272852732341685 E_HEAD : 104 104 (5.101573539805312E-20,-2.9101072939919374E-9) 104 (-9.783840404509194E-21,-2.082890413245277E-21) 104 (6.061050133196553E-21,7.049916206369744E-21) Unsymmetrized in crystal axis ( 0.00574 -0.00131 -0.00093 ) ( -0.00131 0.00671 -0.00154 ) ( -0.00093 -0.00154 0.00587 ) Symmetrized in crystal axis ( 0.00574 -0.00131 -0.00093 ) ( -0.00131 0.00671 -0.00154 ) ( -0.00093 -0.00154 0.00587 ) Dielectric constant in cartesian axis ( 0.006105449 0.000000000 0.000000000 ) ( 0.000000000 0.006105449 0.000000000 ) ( 0.000000000 0.000000000 0.006105449 ) POLA SCA (0.0000011084736764617743,0.) POLA SCA (0.0000011084736764617745,0.) POLA SCA (0.0000011084736764617738,0.) HEAD: 15.257731958762886 0.006105448537285163 0.006105448537285167 0.006105448537285165 E_HEAD : 105 105 (4.9453853633387646E-20,-2.8634934816318406E-9) 105 (-9.714451465470061E-23,-8.836993822669384E-21) 105 (1.4718611937390933E-20,-7.716050021144837E-21) Unsymmetrized in crystal axis ( 0.00559 -0.00128 -0.00090 ) ( -0.00128 0.00653 -0.00150 ) ( -0.00090 -0.00150 0.00571 ) Symmetrized in crystal axis ( 0.00559 -0.00128 -0.00090 ) ( -0.00128 0.00653 -0.00150 ) ( -0.00090 -0.00150 0.00571 ) Dielectric constant in cartesian axis ( 0.005944652 0.000000000 0.000000000 ) ( 0.000000000 0.005944652 0.000000000 ) ( 0.000000000 0.000000000 0.005944652 ) POLA SCA (0.0000010549527788911209,0.) POLA SCA (0.000001054952778891121,0.) POLA SCA (0.0000010549527788911209,0.) HEAD: 15.463917525773194 0.005944651556848248 0.005944651556848248 0.005944651556848248 E_HEAD : 106 106 (5.568651857260327E-20,-2.8182867654172607E-9) 106 (8.187894806610533E-22,1.3145223422447695E-21) 106 (-8.37323501224153E-21,-6.050715484207104E-21) Unsymmetrized in crystal axis ( 0.00544 -0.00124 -0.00088 ) ( -0.00124 0.00636 -0.00146 ) ( -0.00088 -0.00146 0.00556 ) Symmetrized in crystal axis ( 0.00544 -0.00124 -0.00088 ) ( -0.00124 0.00636 -0.00146 ) ( -0.00088 -0.00146 0.00556 ) Dielectric constant in cartesian axis ( 0.005790119 0.000000000 0.000000000 ) ( 0.000000000 0.005790119 0.000000000 ) ( 0.000000000 0.000000000 0.005790119 ) POLA SCA (0.000001004628139902603,0.) POLA SCA (0.000001004628139902603,0.) POLA SCA (0.0000010046281399026038,0.) HEAD: 15.670103092783505 0.005790118762757381 0.005790118762757383 0.005790118762757383 E_HEAD : 107 107 (5.362779974437043E-20,-2.7744281129701843E-9) 107 (3.663735981263017E-21,5.480543051112963E-21) 107 (-4.305094585256735E-21,6.883382752675971E-21) Unsymmetrized in crystal axis ( 0.00530 -0.00121 -0.00086 ) ( -0.00121 0.00620 -0.00143 ) ( -0.00086 -0.00143 0.00542 ) Symmetrized in crystal axis ( 0.00530 -0.00121 -0.00086 ) ( -0.00121 0.00620 -0.00143 ) ( -0.00086 -0.00143 0.00542 ) Dielectric constant in cartesian axis ( 0.005641529 0.000000000 0.000000000 ) ( 0.000000000 0.005641529 0.000000000 ) ( 0.000000000 0.000000000 0.005641529 ) POLA SCA (9.572735900642939E-7,0.) POLA SCA (9.572735900642937E-7,0.) POLA SCA (9.572735900642926E-7,0.) HEAD: 15.876288659793813 0.005641529099051065 0.005641529099051066 0.005641529099051065 E_HEAD : 108 108 (4.901880503325258E-20,-2.7318615037143782E-9) 108 (3.635980405647387E-21,-1.0597424417723114E-20) 108 (4.191903190234978E-21,9.825473767932636E-21) Unsymmetrized in crystal axis ( 0.00517 -0.00118 -0.00083 ) ( -0.00118 0.00604 -0.00139 ) ( -0.00083 -0.00139 0.00528 ) Symmetrized in crystal axis ( 0.00517 -0.00118 -0.00083 ) ( -0.00118 0.00604 -0.00139 ) ( -0.00083 -0.00139 0.00528 ) Dielectric constant in cartesian axis ( 0.005498582 0.000000000 0.000000000 ) ( 0.000000000 0.005498582 0.000000000 ) ( 0.000000000 0.000000000 0.005498582 ) POLA SCA (9.126814075075573E-7,0.) POLA SCA (9.126814075075573E-7,0.) POLA SCA (9.126814075075586E-7,0.) HEAD: 16.082474226804123 0.00549858181452625 0.005498581814526248 0.00549858181452625 E_HEAD : 109 109 (3.890543475069658E-20,-2.690533756612268E-9) 109 (6.272760089132134E-21,-8.789538470927216E-22) 109 (1.8003751468339158E-21,-1.412758798835512E-20) Unsymmetrized in crystal axis ( 0.00504 -0.00115 -0.00081 ) ( -0.00115 0.00589 -0.00135 ) ( -0.00081 -0.00135 0.00515 ) Symmetrized in crystal axis ( 0.00504 -0.00115 -0.00081 ) ( -0.00115 0.00589 -0.00135 ) ( -0.00081 -0.00135 0.00515 ) Dielectric constant in cartesian axis ( 0.005360995 0.000000000 0.000000000 ) ( 0.000000000 0.005360995 0.000000000 ) ( 0.000000000 0.000000000 0.005360995 ) POLA SCA (8.706606171931673E-7,0.) POLA SCA (8.706606171931673E-7,0.) POLA SCA (8.706606171931668E-7,0.) HEAD: 16.288659793814432 0.0053609949410058436 0.005360994941005844 0.0053609949410058436 E_HEAD : 110 110 (4.358959579036162E-20,-2.650394370313697E-9) 110 (-1.137978600240786E-21,-8.595986479395934E-21) 110 (-3.616086222224565E-21,2.5257573810222323E-21) Unsymmetrized in crystal axis ( 0.00492 -0.00112 -0.00079 ) ( -0.00112 0.00575 -0.00132 ) ( -0.00079 -0.00132 0.00502 ) Symmetrized in crystal axis ( 0.00492 -0.00112 -0.00079 ) ( -0.00112 0.00575 -0.00132 ) ( -0.00079 -0.00132 0.00502 ) Dielectric constant in cartesian axis ( 0.005228504 0.000000000 0.000000000 ) ( 0.000000000 0.005228504 0.000000000 ) ( 0.000000000 0.000000000 0.005228504 ) POLA SCA (8.310354647837791E-7,0.) POLA SCA (8.310354647837791E-7,0.) POLA SCA (8.310354647837791E-7,0.) HEAD: 16.49484536082474 0.005228503903031676 0.005228503903031677 0.005228503903031677 E_HEAD : 111 111 (4.224032959866764E-20,-2.6113953718073513E-9) 111 (-8.229528170033974E-21,2.1640037441122267E-21) 111 (3.7439931603436394E-21,-5.440092820663267E-21) Unsymmetrized in crystal axis ( 0.00480 -0.00110 -0.00077 ) ( -0.00110 0.00561 -0.00129 ) ( -0.00077 -0.00129 0.00490 ) Symmetrized in crystal axis ( 0.00480 -0.00110 -0.00077 ) ( -0.00110 0.00561 -0.00129 ) ( -0.00077 -0.00129 0.00490 ) Dielectric constant in cartesian axis ( 0.005100860 0.000000000 0.000000000 ) ( 0.000000000 0.005100860 0.000000000 ) ( 0.000000000 0.000000000 0.005100860 ) POLA SCA (7.936440453948814E-7,0.) POLA SCA (7.936440453948814E-7,0.) POLA SCA (7.936440453948814E-7,0.) HEAD: 16.70103092783505 0.0051008602461670785 0.0051008602461670785 0.005100860246167078 E_HEAD : 112 112 (4.399028200727654E-20,-2.5734911719906552E-9) 112 (2.373101715136272E-21,-9.854732032936252E-21) 112 (-2.7485557393912006E-22,-4.996003610813195E-22) Unsymmetrized in crystal axis ( 0.00468 -0.00107 -0.00075 ) ( -0.00107 0.00547 -0.00126 ) ( -0.00075 -0.00126 0.00478 ) Symmetrized in crystal axis ( 0.00468 -0.00107 -0.00075 ) ( -0.00107 0.00547 -0.00126 ) ( -0.00075 -0.00126 0.00478 ) Dielectric constant in cartesian axis ( 0.004977830 0.000000000 0.000000000 ) ( 0.000000000 0.004977830 0.000000000 ) ( 0.000000000 0.000000000 0.004977830 ) POLA SCA (7.583370699255594E-7,0.) POLA SCA (7.583370699255595E-7,0.) POLA SCA (7.583370699255594E-7,0.) HEAD: 16.90721649484536 0.0049778304724823145 0.0049778304724823145 0.0049778304724823145 E_HEAD : 113 113 (3.3725124407677753E-20,-2.5366384318686046E-9) 113 (7.466249840604179E-21,-8.173214468320081E-21) 113 (3.407380281871311E-21,1.2490009027033016E-21) Unsymmetrized in crystal axis ( 0.00457 -0.00104 -0.00074 ) ( -0.00104 0.00534 -0.00123 ) ( -0.00074 -0.00123 0.00467 ) Symmetrized in crystal axis ( 0.00457 -0.00104 -0.00074 ) ( -0.00104 0.00534 -0.00123 ) ( -0.00074 -0.00123 0.00467 ) Dielectric constant in cartesian axis ( 0.004859195 0.000000000 0.000000000 ) ( 0.000000000 0.004859195 0.000000000 ) ( 0.000000000 0.000000000 0.004859195 ) POLA SCA (7.249767537765959E-7,0.) POLA SCA (7.249767537765959E-7,0.) POLA SCA (7.24976753776596E-7,0.) HEAD: 17.11340206185567 0.004859194973020039 0.00485919497302004 0.004859194973020039 E_HEAD : 114 114 (3.080655296517964E-20,-2.5007959364050925E-9) 114 (6.661338147750943E-22,-7.254597310855442E-21) 114 (3.620031873746443E-21,-7.521760991835435E-21) Unsymmetrized in crystal axis ( 0.00446 -0.00102 -0.00072 ) ( -0.00102 0.00521 -0.00120 ) ( -0.00072 -0.00120 0.00456 ) Symmetrized in crystal axis ( 0.00446 -0.00102 -0.00072 ) ( -0.00102 0.00521 -0.00120 ) ( -0.00072 -0.00120 0.00456 ) Dielectric constant in cartesian axis ( 0.004744747 0.000000000 0.000000000 ) ( 0.000000000 0.004744747 0.000000000 ) ( 0.000000000 0.000000000 0.004744747 ) POLA SCA (6.934358145920886E-7,0.) POLA SCA (6.934358145920886E-7,0.) POLA SCA (6.934358145920888E-7,0.) HEAD: 17.31958762886598 0.004744747048117898 0.004744747048117898 0.004744747048117898 E_HEAD : 115 115 (3.764663211684558E-20,-2.465924475108211E-9) 115 (-2.4286128663675307E-21,-4.619563838731019E-21) 115 (-5.52674108832405E-21,4.1633363423443456E-22) Unsymmetrized in crystal axis ( 0.00436 -0.00099 -0.00070 ) ( -0.00099 0.00509 -0.00117 ) ( -0.00070 -0.00117 0.00445 ) Symmetrized in crystal axis ( 0.00436 -0.00099 -0.00070 ) ( -0.00099 0.00509 -0.00117 ) ( -0.00070 -0.00117 0.00445 ) Dielectric constant in cartesian axis ( 0.004634292 0.000000000 0.000000000 ) ( 0.000000000 0.004634292 0.000000000 ) ( 0.000000000 0.000000000 0.004634292 ) POLA SCA (6.63596567251512E-7,0.) POLA SCA (6.635965672515121E-7,0.) POLA SCA (6.635965672515118E-7,0.) HEAD: 17.525773195876287 0.004634292007419732 0.004634292007419732 0.004634292007419732 E_HEAD : 116 116 (4.571227681319332E-20,-2.4319867300468256E-9) 116 (-2.775557561562929E-23,-3.880056099302487E-22) 116 (-1.1947796767715932E-21,1.1102230246251553E-21) Unsymmetrized in crystal axis ( 0.00426 -0.00097 -0.00069 ) ( -0.00097 0.00497 -0.00114 ) ( -0.00069 -0.00114 0.00435 ) Symmetrized in crystal axis ( 0.00426 -0.00097 -0.00069 ) ( -0.00097 0.00497 -0.00114 ) ( -0.00069 -0.00114 0.00435 ) Dielectric constant in cartesian axis ( 0.004527646 0.000000000 0.000000000 ) ( 0.000000000 0.004527646 0.000000000 ) ( 0.000000000 0.000000000 0.004527646 ) POLA SCA (6.353501057251958E-7,0.) POLA SCA (6.353501057251959E-7,0.) POLA SCA (6.353501057251958E-7,0.) HEAD: 17.731958762886595 0.004527646342251618 0.004527646342251618 0.0045276463422516166 E_HEAD : 117 117 (3.413598076083914E-20,-2.3989471723984415E-9) 117 (-6.93889390390723E-22,-1.3457566821747718E-20) 117 (2.2428175128762793E-21,1.02695629777827E-21) Unsymmetrized in crystal axis ( 0.00416 -0.00095 -0.00067 ) ( -0.00095 0.00486 -0.00112 ) ( -0.00067 -0.00112 0.00425 ) Symmetrized in crystal axis ( 0.00416 -0.00095 -0.00067 ) ( -0.00095 0.00486 -0.00112 ) ( -0.00067 -0.00112 0.00425 ) Dielectric constant in cartesian axis ( 0.004424637 0.000000000 0.000000000 ) ( 0.000000000 0.004424637 0.000000000 ) ( 0.000000000 0.000000000 0.004424637 ) POLA SCA (6.085955626156326E-7,0.) POLA SCA (6.085955626156326E-7,0.) POLA SCA (6.085955626156328E-7,0.) HEAD: 17.938144329896907 0.004424636963787574 0.004424636963787576 0.004424636963787574 E_HEAD : 118 118 (2.6499711877727393E-20,-2.366771960326281E-9) 118 (4.413136522884998E-21,-3.826909744945955E-21) 118 (6.149095237596697E-22,7.244205235679148E-21) Unsymmetrized in crystal axis ( 0.00407 -0.00093 -0.00066 ) ( -0.00093 0.00475 -0.00109 ) ( -0.00066 -0.00109 0.00416 ) Symmetrized in crystal axis ( 0.00407 -0.00093 -0.00066 ) ( -0.00093 0.00475 -0.00109 ) ( -0.00066 -0.00109 0.00416 ) Dielectric constant in cartesian axis ( 0.004325101 0.000000000 0.000000000 ) ( 0.000000000 0.004325101 0.000000000 ) ( 0.000000000 0.000000000 0.004325101 ) POLA SCA (5.832394382642453E-7,0.) POLA SCA (5.832394382642453E-7,0.) POLA SCA (5.832394382642454E-7,0.) HEAD: 18.144329896907216 0.004325100501094628 0.004325100501094628 0.004325100501094627 E_HEAD : 119 119 (3.9156594323051717E-20,-2.3354288492600515E-9) 119 (-3.955169525227121E-21,-1.1925586968268882E-21) 119 (4.382072013060919E-22,-1.9984014443252826E-21) Unsymmetrized in crystal axis ( 0.00398 -0.00091 -0.00064 ) ( -0.00091 0.00465 -0.00107 ) ( -0.00064 -0.00107 0.00406 ) Symmetrized in crystal axis ( 0.00398 -0.00091 -0.00064 ) ( -0.00091 0.00465 -0.00107 ) ( -0.00064 -0.00107 0.00406 ) Dielectric constant in cartesian axis ( 0.004228883 0.000000000 0.000000000 ) ( 0.000000000 0.004228883 0.000000000 ) ( 0.000000000 0.000000000 0.004228883 ) POLA SCA (5.591949922287887E-7,0.) POLA SCA (5.591949922287888E-7,0.) POLA SCA (5.591949922287892E-7,0.) HEAD: 18.350515463917525 0.004228882653737466 0.004228882653737464 0.004228882653737464 E_HEAD : 120 120 (4.010784522160338E-20,-2.304887102599601E-9) 120 (-4.10782519111308E-21,-8.030017096577964E-21) 120 (-4.976260662476136E-21,-1.387778780781442E-22) Unsymmetrized in crystal axis ( 0.00389 -0.00089 -0.00063 ) ( -0.00089 0.00454 -0.00104 ) ( -0.00063 -0.00104 0.00397 ) Symmetrized in crystal axis ( 0.00389 -0.00089 -0.00063 ) ( -0.00089 0.00454 -0.00104 ) ( -0.00063 -0.00104 0.00397 ) Dielectric constant in cartesian axis ( 0.004135838 0.000000000 0.000000000 ) ( 0.000000000 0.004135838 0.000000000 ) ( 0.000000000 0.000000000 0.004135838 ) POLA SCA (5.363816907478633E-7,0.) POLA SCA (5.363816907478635E-7,0.) POLA SCA (5.363816907478631E-7,0.) HEAD: 18.556701030927833 0.004135837594149036 0.004135837594149038 0.004135837594149036 E_HEAD : 121 121 (3.438050335455117E-20,-2.275117410431793E-9) 121 (4.524158825347512E-21,3.953344301574685E-21) 121 (-2.0450717156393526E-21,8.298917109073047E-21) Unsymmetrized in crystal axis ( 0.00380 -0.00087 -0.00061 ) ( -0.00087 0.00445 -0.00102 ) ( -0.00061 -0.00102 0.00389 ) Symmetrized in crystal axis ( 0.00380 -0.00087 -0.00061 ) ( -0.00087 0.00445 -0.00102 ) ( -0.00061 -0.00102 0.00389 ) Dielectric constant in cartesian axis ( 0.004045827 0.000000000 0.000000000 ) ( 0.000000000 0.004045827 0.000000000 ) ( 0.000000000 0.000000000 0.004045827 ) POLA SCA (5.147247045214901E-7,0.) POLA SCA (5.147247045214902E-7,0.) POLA SCA (5.1472470452149E-7,0.) HEAD: 18.76288659793814 0.004045827415442066 0.004045827415442065 0.004045827415442066 E_HEAD : 122 122 (3.490346977076712E-20,-2.2460918124969643E-9) 122 (-7.771561172376094E-22,-8.669762718229539E-21) 122 (1.0237683569323803E-21,2.1926904736346844E-21) Unsymmetrized in crystal axis ( 0.00372 -0.00085 -0.00060 ) ( -0.00085 0.00435 -0.00100 ) ( -0.00060 -0.00100 0.00380 ) Symmetrized in crystal axis ( 0.00372 -0.00085 -0.00060 ) ( -0.00085 0.00435 -0.00100 ) ( -0.00060 -0.00100 0.00380 ) Dielectric constant in cartesian axis ( 0.003958722 0.000000000 0.000000000 ) ( 0.000000000 0.003958722 0.000000000 ) ( 0.000000000 0.000000000 0.003958722 ) POLA SCA (4.941544517630952E-7,0.) POLA SCA (4.941544517630951E-7,0.) POLA SCA (4.941544517630967E-7,0.) HEAD: 18.969072164948454 0.003958721620754822 0.003958721620754822 0.003958721620754822 E_HEAD : 123 123 (3.25635981210598E-20,-2.2177836251822685E-9) 123 (-1.2212453270876724E-21,-1.6039114795464462E-21) 123 (-4.013190818892897E-21,-5.3013149425851234E-21) Unsymmetrized in crystal axis ( 0.00364 -0.00083 -0.00059 ) ( -0.00083 0.00426 -0.00098 ) ( -0.00059 -0.00098 0.00372 ) Symmetrized in crystal axis ( 0.00364 -0.00083 -0.00059 ) ( -0.00083 0.00426 -0.00098 ) ( -0.00059 -0.00098 0.00372 ) Dielectric constant in cartesian axis ( 0.003874397 0.000000000 0.000000000 ) ( 0.000000000 0.003874397 0.000000000 ) ( 0.000000000 0.000000000 0.003874397 ) POLA SCA (4.746061820297766E-7,0.) POLA SCA (4.7460618202977655E-7,0.) POLA SCA (4.7460618202977713E-7,0.) HEAD: 19.175257731958762 0.0038743966505984735 0.003874396650598472 0.003874396650598472 E_HEAD : 124 124 (2.930931424398079E-20,-2.1901673726141548E-9) 124 (-2.622901895676933E-21,6.78571411653282E-21) 124 (-4.156913450323986E-21,-2.498001805406604E-22) Unsymmetrized in crystal axis ( 0.00357 -0.00081 -0.00057 ) ( -0.00081 0.00417 -0.00096 ) ( -0.00057 -0.00096 0.00364 ) Symmetrized in crystal axis ( 0.00357 -0.00081 -0.00057 ) ( -0.00081 0.00417 -0.00096 ) ( -0.00057 -0.00096 0.00364 ) Dielectric constant in cartesian axis ( 0.003792735 0.000000000 0.000000000 ) ( 0.000000000 0.003792735 0.000000000 ) ( 0.000000000 0.000000000 0.003792735 ) POLA SCA (4.56019596824055E-7,0.) POLA SCA (4.56019596824055E-7,0.) POLA SCA (4.5601959682405484E-7,0.) HEAD: 19.38144329896907 0.003792735445007686 0.0037927354450076854 0.0037927354450076854 E_HEAD : 125 125 (3.119522741479397E-20,-2.163218724215821E-9) 125 (5.2735593669694946E-21,1.31051465217695E-21) 125 (3.1297205656556354E-21,1.4988010832439616E-21) Unsymmetrized in crystal axis ( 0.00349 -0.00080 -0.00056 ) ( -0.00080 0.00408 -0.00094 ) ( -0.00056 -0.00094 0.00357 ) Symmetrized in crystal axis ( 0.00349 -0.00080 -0.00056 ) ( -0.00080 0.00408 -0.00094 ) ( -0.00056 -0.00094 0.00357 ) Dielectric constant in cartesian axis ( 0.003713627 0.000000000 0.000000000 ) ( 0.000000000 0.003713627 0.000000000 ) ( 0.000000000 0.000000000 0.003713627 ) POLA SCA (4.383385033897236E-7,0.) POLA SCA (4.383385033897236E-7,0.) POLA SCA (4.3833850338972316E-7,0.) HEAD: 19.58762886597938 0.003713627037596028 0.003713627037596029 0.003713627037596028 E_HEAD : 126 126 (2.896973974191803E-20,-2.136914432809112E-9) 126 (-4.267419750902945E-21,-2.3018409854850006E-21) 126 (-4.472449766788463E-21,6.2172489379008765E-21) Unsymmetrized in crystal axis ( 0.00342 -0.00078 -0.00055 ) ( -0.00078 0.00400 -0.00092 ) ( -0.00055 -0.00092 0.00349 ) Symmetrized in crystal axis ( 0.00342 -0.00078 -0.00055 ) ( -0.00078 0.00400 -0.00092 ) ( -0.00055 -0.00092 0.00349 ) Dielectric constant in cartesian axis ( 0.003636966 0.000000000 0.000000000 ) ( 0.000000000 0.003636966 0.000000000 ) ( 0.000000000 0.000000000 0.003636966 ) POLA SCA (4.215104985039024E-7,0.) POLA SCA (4.2151049850390236E-7,0.) POLA SCA (4.215104985039022E-7,0.) HEAD: 19.79381443298969 0.0036369661788863764 0.003636966178886375 0.0036369661788863746 E_HEAD : 127 127 (2.808798925743839E-20,-2.1112322785711846E-9) 127 (-3.566591466608316E-21,2.385961117878581E-21) 127 (3.5137557086456296E-21,-4.912736883966318E-21) Unsymmetrized in crystal axis ( 0.00335 -0.00076 -0.00054 ) ( -0.00076 0.00391 -0.00090 ) ( -0.00054 -0.00090 0.00342 ) Symmetrized in crystal axis ( 0.00335 -0.00076 -0.00054 ) ( -0.00076 0.00391 -0.00090 ) ( -0.00054 -0.00090 0.00342 ) Dielectric constant in cartesian axis ( 0.003562653 0.000000000 0.000000000 ) ( 0.000000000 0.003562653 0.000000000 ) ( 0.000000000 0.000000000 0.003562653 ) POLA SCA (4.0548667940349075E-7,0.) POLA SCA (4.0548667940349075E-7,0.) POLA SCA (4.0548667940349075E-7,0.) HEAD: 20. 0.003562652986528027 0.003562652986528026 0.003562652986528025 E_HEAD : 128 128 (3.194092097306624E-20,-2.0861510144515043E-9) 128 (-4.163336342344324E-23,-3.2610768469290564E-22) 128 (4.349332204416071E-21,-9.409140133698202E-21) ATT01 ATT02 ATT1 ATT2 PHONON : 0m57.70s CPU 1m 5.39s WALL INITIALIZATION: phq_setup : 0.00s CPU 0.00s WALL ( 1 calls) phq_init : 0.09s CPU 0.09s WALL ( 1 calls) phq_init : 0.09s CPU 0.09s WALL ( 1 calls) init_vloc : 0.00s CPU 0.00s WALL ( 1 calls) init_us_1 : 0.01s CPU 0.01s WALL ( 1 calls) ortho : 0.01s CPU 0.01s WALL ( 12 calls) cgsolve : 4.85s CPU 5.77s WALL ( 12 calls) cgsolve : 4.85s CPU 5.77s WALL ( 12 calls) ch_psi : 4.68s CPU 5.57s WALL ( 293 calls) ch_psi : 4.68s CPU 5.57s WALL ( 293 calls) h_psiq : 10.42s CPU 13.43s WALL ( 653 calls) last : 0.50s CPU 0.59s WALL ( 293 calls) h_psiq : 10.42s CPU 13.43s WALL ( 653 calls) firstfft : 4.48s CPU 5.50s WALL ( 9733 calls) secondfft : 3.95s CPU 5.53s WALL ( 9733 calls) add_vuspsi : 0.44s CPU 0.47s WALL ( 653 calls) General routines calbec : 0.72s CPU 1.00s WALL ( 1010 calls) fft : 0.31s CPU 0.57s WALL ( 387 calls) fftw : 18.09s CPU 22.05s WALL ( 44106 calls) davcio : 0.03s CPU 0.03s WALL ( 44 calls)