ELF4(U W VowS$}WfUMIDž2.0.Dž1 fƅ EGeneErateEd usE ing EFHI9E8PP,E conEvertE ed wE$ith E(fhi2E,upf.E0x v.E45.0.E82E9 E= EA EE EI EO EPunknfMTEVnR!!Ѹ t fGt owIDžunknfƅn  Ѹ t fGt D$$D$PD$$arDžVscalfZ$t$p|$||$D$4$D$|@D$t$$$PDžBSL DžF DžJ dDžN DžR Dž\DžDž` A~g<$DŽ$DŽ$DŽ$DŽ$"D$|DŽ$D$D$<$<$<$DŽ$DŽ$DŽ$DŽ$DŽ$:DŽ$ D$|0DŽ$<$<$DŽ$DŽ$DŽ$DŽ$D$|DŽ$lD$D$<$<$ݝݕDŽ$ݕDŽ$ݝ<$DŽ$DŽ$DŽ$DDŽ$4D$|0DŽ$D$D$<$D$D$<$<$<$DŽ$DŽ$D$|DŽ$D$D$<$D$D$<$<$51ҡDž9ƒ)1ۅIމ1D$1҅1 O EЉ$LT$DžTDž\`DžXDžP1҅1‰D$( 1O|EЉ$SD$DžDžDžDž?1҅T$(1 OEЉ$D$DžDžDžDž1҅1?‰D$ 1OoEЉ$FD$Dž DžDžDž$1҅T$ 1 OEЉ$|D$Dž DžDžDž>1҅T$(1 OoEЉ$FD$DžDžDžDžT$(1OÅEЉ$\$fDžt$lDžDžDž<$DŽ$DŽ$#DŽ$xDŽ$YD$|DŽ$<$<$DŽ$DŽ$$DŽ$DŽ$^D$|DŽ$<$<$DŽ$DŽ$&DŽ$4DŽ$qD$|DŽ$<$D$hD$Q<$DŽ$DŽ$(DŽ$DŽ$DŽ$DŽ$8D$|0DŽ$D$hD$D$<$<$<$DŽ$DŽ$)D$|DŽ$D$\$<$D$D$h<$‰D$<$<$DŽ$DŽ$*$DŽ$DŽ$DŽ$D$|@D$t$<$<$D$|D$\$XLD$hPB$D$h|L$l D$gT$0D$HDž8Dž@҉DDž<Dž4u OD$D$$D$ D$h L$(L$@4‹D$|$|$H,D$D1ɍ|$0ufD\9}؍t&t$(;L$ u|$L$h<$DŽ$DŽ$DŽ$DŽ$D$|DŽ$<$D$&D$<$[^_]þ DžInfoDž: auDžtomaDžticaDžlly DžconvDžerteDž d frDžom FDžHI fDžormaƅtDž Dž! Dž% Dž) Dž- Dž1 Dž5 Dž9 f=ƅ? =D$hHL$l3\$0D$T1g|$|<$DŽ$DŽ$DŽ$DŽ$DŽ$DŽ$D$|0DŽ$<$<$DŽ$DŽ$DŽ$DŽ$D$|DŽ$@D$D$<$<$ DžVno fZDžlSLA-DžpPW Džt Džx Dž| Dž ƅ DžlPBE Džp 붸 fGG fGƅ HEW }XHD$,9}1ҁ|$1$D$11P11511"1f11f1)1f\$,L$D$41=D$49ÉЉD$D1j1R1'UWVS$l$\D$d\$ ")(a)("DFT read from abinit file: ",i1)("DFT > ")("Confirm or modify l max, l loc (read:",2i3,") > ")("PPs in FHI format do not contain information on atomic valence (pseudo-)wavefunctions")("Provide the label and the occupancy for each atomic wavefunction used in the PP generation")("If unknown: list valence wfcts and occupancies for the atomic ground state ", "in increasing l order: s,p,d,f")("Wavefunction # ",i1,": label (e.g. 4s), occupancy > ")Pseudopotential successfully converted("Assuming abinit format. First line:",/,A)("read_fhi: unknown PP type ",i1,"...stopping")("read_fhi: Zval/Zion mismatch...stopping")("read_fhi: lmax mismatch...stopping")("read_fhi: too many l-components...stopping")("read_fhi: mismatched number of grid points...stopping")("read_fhi: different radial grids not allowed...stopping")Pseudopotential with NLCC successfully read("read_fhi: error reading core charge, assuming no core charge")("this error may be due to the presence of additional", " lines at the end of file")("read_fhi: radial grid for core charge? stopping")Pseudopotential without NLCC successfully readusage: fhi2upf "file-to-be-converted"fhi2upfoldformattedfile: not found.UPF('Output PP file in UPF format : ',a)unknown('Pseudopotential successfully written')('Please review the content of the PP_INFO fields')('*** Please TEST BEFORE USING !!! ***')DInteger overflow when calculating the amount of memory to allocateAllocation would exceed memory limitAttempting to allocate already allocated variable '%s'At line 181 of file fhi2upf.f90UE D$E$D$$2-DT!)@:0yE>ư>75BQ2dHC z P OQH ՚x +oc>Bb3, (4w(8<իD0. ### 8 0.Q ### 8 ## #8 #(#,#$8 0. ### 8 ## #8 #(#,#$8 0. ### 8 ## #8 #(#,#$8 0. ### 8 ## #80.> ### 80.b ### 8 0. ### 8 ## #8 #(#,#$8 >Fa(rFr2jrabՎ4sqrղLrm1drm2|rm3 dx0.j ### 80. ### 80. ### 80. ### 80. ### 80. ### 80.B ### 8xѽlս սPսyս psdտ@ typB relV \`d8h dftl zp7 0 X nv ( ( vnlr( (J (  lll=  a ( els՘ Lvռ d  |  oc( L p vՔ  chiո #  0a(H LT\ dxd r l rab7 [ u (8  Iգ  nqf((V  qqq (1 5 LJl pյ   lG ; ( nn~ , բ D  \  t jjj( paw/32(B ( :8\(-Հ@դX |[Y( #GNkh բ 4 !X P     0. ### 8 ## #8 #(#,#$80.(= ### 40.(a ### 4 0. ### 8 ## #80. ### 20. ### 20.( ### 40.(( ### 40.L ### 80.p ### 80. ### 80. ### 8 0. ### 8 ## #80. ### 80.7 ### 80.[ ### 80. ### 80. ### 8 0. ### 8 ## #80. ### 8 0.5 ### 8 ## #8 0.l ### 8 ## #8 0. ### 8 ## #8 #(#,#$8 0. ### 8 ## #8 #(#,#$8 #4#8#08 0.G ### 8 ## #8 0.~ ### 8 ## #80.( ### 40. ### 80. ### 80. ### 80.2 ### 80.\ ### 80. ### 80. ### 2 0. ### 8 ## #80. ### 80.# ### 80.G ### 20.(k ### 4 0. ### 8 ## #80. ### 80. ### 8 0.! ### 8 ## #8  3#ԳupfBaux8*"i(|ir( iv(rl(|'߿|vll}+t t+tuttP+,'tvt2tw,+Jtutvt2:+&,htw-twtt4 .tw}&,tw.tw%.tw4.twtutIM.twk&,.tw-Stwtt4-xtwtt4.tw%.tw\.twtt4\.twtt4 M.twu.8t$s1$0v0+(1s1$0v0+(0.(u.u.&u.u.&u.u.0 &,tw8 .tw &,tw .tw &,tw .twM &,twe -$twt|t4m .9tw %.Ntw 4.ptwtst2 .twt8 M.tw6 %.twJ \.twtvt4R M.tw +tst2s . .H u. u.bt-|3$0|0+(s|3$0|0+(0.(u.u.t)|3$0s0+(v|3$0s0+(0.(=u.u.6u.ts~u.tsu.Ku.tss3$1ss3$0.(.<tsv"#t0tu.ctsu"#t0tvu.xtsu.tsvu.t9s0s0*(3$0s0+(vs0s0*(3$0s0+(0.(E+t2.t|.*t|tst } /Ht|ts/]tsO/tt|u.,u..tst0t|v|0+(3$&,tw+/twtt&. tw!&,tw%!.3twl!%.Htw!4.ktwtut2!M.tw"D/tD"S/tBfhi@y rXEpotF +wfcG1+3HU+0 IHJ(PK(TV*\^*\*u ]( Q(> ]O (fS ]e(7]9( ] ( \ \\ T`y+\\ PW c@#Ny#fnlh#sc(j|j|im(|Cm(|lm(|am(rj}#%.+tu#4.Rtutt #M.gtu$%.|tu&$.tutt8:$\.tutst4B$M.tu$&,tu$+ t t$+/,tut$.Atu%%.Vtu%.{tutt86%.tutt8N%\.tutt4V%M.tu|%%.tu%\.tutt4%\.9tutt4%\.^tutt4%\.tutt4%\.tutt4 &.tutt8&M.tuG&%.tu_&.tutt8w&.Atutt8&.ftutt8&M.{tu&%.tu&M.tu&%.tu&M.tu'%.tu!'M.tuG'%.tu_'.3tutt8s'\.Ututst4{'M.jtu'%.tu'M.tuR(u.(%.tu)\.tut4N).tut8V)M.tu?*u.*u.+u..,%.- tuF,\.P tut|t4,.k tut8,. tut8-. tut8 -M. tu-u.!t8s0s0*(3$0s0+(1s0s0*(3$0s0+(0.(N.%.!tub..8!tutwt8..S!tut8..v!tut|t8..!tut|t8.M.!tu/&,!tu+/+/!tut`t.3/.!tu/&,"tu/+/9"tut`t+/.N"tu>0&,c"tuF0.x"tu0&,"tu0."tu1&,"tu 1."tu1c/"t0t01&,"tu1- #tutt41D/8#tDG2S/P#t2w/ttlt (( 2#(!els#$nns!$<llsE$Tocsi$l $ $ $0.!$ ### 20.(E$ ### 40.(i$ ### 40.$ ### 80.$ ### 80.$ ### 80.$ ### 8  2)!)!*!&*\*yu\*{ios(yupfB"e3 %##q3yt"5$%##=5/ttt0t 0"6,&##6/tttt 7t%"6<Z'##7/L&tstut t v17u.p7/&tx#twt6t txtx7/&tx7u.7/&txtxtx:t wt:t7/'tw8/F'ttxtt 7tw18/tx2 0w'tvt 2+'t tvY30'ts31'ts31't3#'t3+ (t tv3u..(tw5$1w5$0.(4/c(twtxt vt4tA4/4&,(ts4+/(tstut 4.(ts50(tsq51(ts}51(t5&,)ts5.&)ts6&,;)ts!6.P)tsk6&,e)tss6.z)ts6c/)t0t061)tutxtw6 2twt $Q)%2 &y#&&)&*#($8*'b( &*&%5&(0.\* ### 8)* (4* # *02*tutu /D2*t7t4$*0. + ### X0.1+ ### 80.U+ ### 80.y+ ### 8(0.+ ### 8+(+&(&*, &+&&&+&++-,0++&z'^  ,& ,&(.O5,&5,;,/T-0-1rec-0-$0* -(0*,0)*00?(40U(80w *<0 *@0(D0 (H0*L1u-P2id*2pos-3B*3> ( 38($3*(3r*,3(03(43*82pad*<33 (@3(D3*H3 *L3(P4?-0 (0(0*0 ( 0(0^*0*-5--6-. .&5,&&&(.m%.&5,.4.&5,.M.&5,&&&(. \.&5,.Ou.&5,&&&(,&.&+.T.&5,&&&(7log.&8&.&&&(&-+&.&&9P/:./&&&&'f  +/&&.D/&5,&&&(.'S/&*.c/&*:.!w/&*&(./&*&*:'2 /&y#&&)&*'k/:./&*&/&(&**. 0&(&*&(&*&(&*' 0:.-0&-0304 10-0 (0( 0*$0*(0(,0(00*40*80j(<08(@0*D0*H0(L0v (P0*T0*X0(\03 (`1pad*d0 *h0(l0(p0r*t0*x0(|0(0*0 *0(0> (0B*0}*.1&114A$10-0*0( 'b( 1&'51&8 & 2&&&+&-, &02&&&(&+. 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