ELF>Hp@@AWAVAUATUSHxH$LD$HL$H$A9D H$*D\fEWHD%HIIIfE(HD$fE(D^UAX2AAAAE<IcAy1fA(HfA(HHH4LXDXLHH9uA*Ht$`H|$PL1f)d$0D\$@Dd$(DL$ DT$|$^^Y\L$`D$PIc6|$DT$DL$ Dd$(D\$@f(d$0E$~HH31LfDWHH@f(f(\fTfT\Tf.YOf(f(^YYAYXAX\^^\HfA(H9\f(uf(f(fTfTf.f(^f(YAYX\^IAEAUL;l$\fTDXf(fTDXE^HD$HDH$1fA.Hx[]A\A]A^A_fIc6A $HcD\DfA(fA(fEWfE(f(fA(^Y\X^8f(^f(YAYXXYfA(\^^fff.AUIATIUHSHH8A McfEWDZ1IfA(IfA(NIIfDAXLAXTHL9u*Ht$ H|$1LDT$L$^^A\ $L$YT$ L$f(DT$Ay-f(fTfTf.bf(fA(^YY\X^H8[]A\A]f.A fEWHcЃdA\$$~EEPHcHHE $fDWH|5-HH1@f(f(\fTfTA\Tf.Yvif(f(^YYAYXAX\^^f(HfA(H9\\ufEWfA(fA([f(fA(^f(YYAYX\X^^f(fA(^Y\X^fDAWIAVAUIATUHSHLc5HL$(1LD$hLL$HI1~HcHHHEHH 1Hc…IHD$01~HcHHHEHI[ 1ɉD$8I1҅~HcHHҿHEHHD$@ H|$0D$P~HT$01HHT$8~HcT$81LHE~I1LLL1L Lt$(1IغH^L$^$^$A1HLLHALfWAAH$L1If(YLHfW X$fW$A1HLHHAELAQEf.%H$1AEH^H$HcuHLH~+fDBHHJH@HH9}H|$0~HT$01HHD$P~HcT$PH|$@1HHD$@=D$p8D$0H$HD$`H$HD$8H$HD$PH$HD$X1ILHD$pfWHT$(AH$LIHHAD1f(YfW X$fW$AL1LLct$pHHHcD$pICI|HcD$pfWAH$ILLHAD1f(YfW X$fW$A1Lct$pHLHHHcD$pICDI|HcD$pMtAQf.HcuALHD$(H~*DJHHRHHPH9~H$1H^H$HcUHLH~;AHHIH@HH9~H1HL$pș= ;L$0AD$pHD$HLt$8H$LL$`$LHL$@LHD$HD$ HD$PMHD$HD$HD$XH$H$HDŽ$DŽ$HDŽ$DŽ$  DŽ$$H$D$pHt$|H$D$|H$ H$H$HDŽ$DŽ$HDŽ$DŽ$ DŽ$$H$ D$pHt$|H$D$|H$ H$LH$D$pH|$hHLH|$@Hĸ[]A\A]A^A_fDHD$HLL$`HT$pLD$8HL$@LHD$HD$LHD$ HD$PHD$HD$XH$HDŽ$H$DŽ$HDŽ$DŽ$ DŽ$$H$Ht$pH$H$Ht$8H$H$L$pH$HD$`H$HD$8H$HD$PH$HD$XH$DŽ$HDŽ$DŽ$ DŽ$$H$Ht$pH$H$ Ht$8H$H$D$pH|$hAAEGfDAWAVIAUIATUSHHHL$01L$LL$`҉D$DI1~HcHHHEHIY 1Hc…IHD$81~HcHHHEHHD$( 1ɉD$HI1҅~HcHHҿHEHHD$X 1Ʌ҉D$PI1~HcHHHEHH D=1EAI1E~HcHHHEHH$T H|$8~HT$81LHE~Ic1HHL$H~HcT$HH|$(1HT$D~#Lc|$D1LILL1L LD$0H$M1^HھDŽ$$^$^$L|$(1LH޿MA1LLLHALfWHT$0AAH$L1f(YMHfW X$fW$H$M1MHھDŽ$A1LLLHAELAQEf.q%HT$(H$AE1^H$H$1LA^EH$D$P~HcT$PH|$X1HHD$X=DŽ$8D$DHD$8HHD$HH$HD$pH$HD$PH$HD$xH$HD$h@1ILH޿AH1LLc$LHHc$ICI|$fWHT$0AH$LIH߃HAD1f(YfW X$fW$Hc$fWHT$(AH$ILHAD1f(YfW X$fW$H|$8~HT$H1LH$M1IHھDŽ$A1Lc$LLHHHc$ICDI|Hc$M|AQf.Hc5AH~8HT$(HD$0DJHHHHPH9~H$1H^H$Hc$H$LHA^D1$Hc5H~3HD$(HfBH H@HHH9~܋$ș=d;L$DA$H$HDŽ$DŽ$bHDŽ$HDŽ$P DŽ$$H$$H$H$$H$ H$H$HDŽ$DŽ$fHDŽ$HDŽ$PDŽ$$H$ $H$H$$H$ $LL$pH$LD$PHL$XLLHD$HD$$HD$`HD$ HD$xHD$HD$hH$H$H$$H$$H$LHH|$(H|$XH$H[]A\A]A^A_DHD$`LL$pH$LD$PHL$XLHD$HD$LHD$ HD$xHD$HD$hH$HDŽ$H$DŽ$ZHDŽ$HDŽ$PDŽ$$H$H$H$H$Ht$PH$H$$xH$HD$pH$HD$PH$HD$xH$HD$hSH$DŽ$THDŽ$HDŽ$PDŽ$$H$H$H$H$ Ht$PH$H$$H$ATAEAllocation would exceed memory limit(8x,a,i6,a,f12.8)! => CONVERGED at iter with error=| Estimated error at iter : (8x,a,i6,a)! XANES not converged after iterations! Estimated final error after iterations: (8x,a,i6,a,l1)lanczos.f90?1@6+@"sVdVwyasbsms5ss.s.s.s.s5s.sV  ] . ] ] . e. err. n5 tmp.VMC7-#Y^inyZUTQ|5.w55 5 5 . . . ..yasbe..m5V ] aa. ] bb. i5 p5 q5 res~.* ~       y      !a!b!npw5!psi"5"V ]#ac'~{ ]#bc'~{$(%&.{$)#i%5{$$V& V ]'u)5%&.{%&.{%&.{()YpTvQ R~Xs*)Y)YUvT~Q RsX (7)Y)YUvT{Q~R XsY *)Y)YUvTsQ RsX ()YUvT{QsR *)YpTvQ R|Xs(m)Y)YUvT{QzR XsY ()Y)YUvTsQ R|X ()Y)YUvT{Q|R XsY (^)Y)YUvTsQ RsX */)YUvT{QsR +++,UsT0Qz4$,# U|T0Q z $ &4$,F UT0Q~,i U}T0Q~, U, U}, UsT0Qz4$, UzT0Q z $ &3$++,' UsT0,<} UT}Q{RzX~Yzwzwzw z, U{, U{T QM, ! U{T{Q4,  U{T Q;,$!* U{,C U{, o U{T Q , ! U{T{Q4, U{T Q<,3! U{T~Q8,$! U{,L! Us,L!, U|-L!F Uz,< UT}Q{RzXzYzwzwzw z, U{, U{T QL, ! U{T{Q4, 2 U{T Q2,3!X U{TzQ8,$!q U{, U{, U{T QI, ! U{T{Q4, U{T Q<,3!+U{TzQ8,$!DU{,a!cU +p!+p!5 5 s ߎ ՙ ը ։ y ط    Чq!a^!bv!npw5!psi̎"5"V ]#ac~{ ]#bc~{$%.{#i5z$V ]%V{'u'v1'v2'v36%.{%.{%.{()Y!U{QsR XzY|*)Y!TsQ R|X*Z)Y)Y!UsT|Q RX ()Y)Y!UsT{QzR XY ()Y!U{QsR XY|*N)Y)Y!UsTQ R|X ()Y!UsT{QzR *1)Y!UsT{Q|R *)Y!TsQ R|Xv(l)Y)Y!UsT|Q RvX ()Y)Y!UsT{QzR XvY ()Y)Y!UsT{QzR XvY (])Y!U{QsR XvY|()Y)Y!UsTvQ R|X */)Y!UsT{QvR *:=)Y!UsT{Q|R +++++,U|T0Qz4$,UvT0Q  $ &4$,UzT0Q z $ &4$,#U~T0Q,FU}T0Q,!^U~,!vU},UzT0Q z $ &3$+!,U|T0Qz+!,U{, )U{T QM, !NU{T{Q4, yU{T Q;,$!U{,U{, U{T Q , !U{T{Q4, 'U{T Q<,<U~T}Q{RzXzYzwzwzw z,"U{T{Q4,$!U{,L!U|,L!Uv,L!Uz,L!!Uz-L!;Uz,<U~T}QzRzXzYzwzwzw z,U{, U{T QL, !U{TzQ4, 'U{T Q2,3!MU{TzQ8,$!fU{,U{, U{T QI, !U{TzQ4, U{T Q<,3! U{TzQ8,$!9U{,a!XU +p!+p!../]../]../]../]..0]1]1212s3zs#-7CMY^inyZUT@Q}..0]1]..0],1].~0]Q1]40..5# #(#840.~55# #(#@40.~Y5# #(#@15..q0]1]..0]41].~0]Y1]40..5# #(#840.~5# #(#@40.~5# #(#@40.~65# #(#@40.~Z5# #(#@6~p78D79I~78Q78\79:;::5:8K:j:d<%:%2+=p >p ?rec](> 0> 8> @> H>5P>5T> X> `>5h>5l> p?u x@id x@pos]A A5A5A A A5A5A @pad A5A5A A A5B( >5>5> >5>5> > 2 252]. C< !:%::5<$!:%::5<3!:%<L!:%::58a!:<p!: 9.!:.D!7D!76~!7D!7D$!7D":j:dE:%::5% B $ > .?: ;nI@B: ;: ;I44I: ;I: ;I 4I4 4: ;I 4I4 4: ;I 4: ;I4I41RUX Y11I U41411B I<4: ;nI?<4: ; nI?<.?: ;nI : ;I: ;I .?: ; n@B : ; !: ; I": ; I#4: ; I$4: ; I%4: ; I&4: ; I'4: ; I( U)'I* +1,1-B1.I/!I0!I/1&I2 I3.1n@B4PNI5!"/Q6.?: ;nI<78.?: ; n<9.?: ; nI<:I;.?I4<<.?<= > I8 ? I8 @ I8A I8B C!I" / D.?: ;n<E.?<usUs u dstT t dq~Q~ q d~  $ &  p $ &rR r dRx x dyY y dY? QkQ}~k  ?K..5.KP ...P.. ..p5.?QhQ}~ h? QjQ}~j  ?1 1VV dV^^ d^\\ d\ d__ d_SS dS a+9..9Aa  b+=b }111p2p2p2R}ab$&ababec" ~ $ & ~ $ &BuB  U JtJ } T }q v Q vJ q $ &rzJxJzJyJz0(P( P z z  1z  1Q0(QWP(Wb P !bl S !l S  !1 0  !1 S  !1S(S  !1 0 0100(P( P ! \ ! \  !1 0  !1 \  !1\  !1`e p $ &< z $ & z $ & z $ & xux~U~ t}T} @q@tstQsQs` q $ & MrMz xz yz` 0( P( P %z %z  10  1z  1z  1|y0010`0(P( P !z !z  !10  !1z  !1z  !1`0(P( P ! \ !\  !10  !1\  !1\(\  !1`L0(LRP(RY P !YdP  !1dV  !10  !1V  !1V  !1`0(P(z(z(puvUuxvxuvptsTspq|Q|p/r/}Rrx}xr}p/x/GwGXxxXxxXpyYyxYxyY b ..bx  c %cx ?O111x1p2p2xp28?abqxeba,iWdDIQ^bj %asy  ! 4 N U W  26>| %%BMR GLXt{}!&-0 lanczos.f90 bJA}2AT<+Xg5g\Z7ILD3i=1FCha[mY]*wWNY>SWX;g8u\LKK-;zJ:Bf=u 8|.-Sf-S.-  tg-=WY f tg-K  td./# vX v JvKR]Nb\b&]j0~NJ-.^ɝu-._WKWuzJ%/2HJ[S9$Sg[كZeP fG.zG.;BX-Sf-S.-S.-J  tg-=WY f tg-K  tegIK  tu  t"/Y+ wX w  JxKQYNT\*b&Z\Gi1ʪL.sFǟ-.Zu-.ZhZKWuo]*0/:,3]t5<SB$SgB?d#S fG1zG1;X_advance_lenxspectracomplogical(kind=4)h_psi_format_lensign_lenGNU Fortran 4.8.5 -mtune=generic -march=x86-64 -g -O3 -fopenmp -fintrinsic-modules-path /usr/lib/gcc/x86_64-linux-gnu/4.8/fincludelastterm_converge___wvfct_MOD_npwxestimated_errormallocsizetyperecalcxnepointiomsg_gfortran_transfer_real_writexgammagamma__mp_MOD_mp_sum_r1integer(kind=4)zdotc___unknown____builtin_freedecimal_gfortran_transfer_character_write_gfortran_st_writedeliminteger(kind=8)linedecimal_lenzaxpy_h_psi_gfortran_transfer_integer_write__st_parameter_dtncalcviomsg_lenformatadvancememsetasynchronousfilenameiostatlanczos_uspplanczosdelim_len_gfortran_transfer_logical_writeterm__xspectra_MOD_xemaxldummysm1_psi_lanczos.f90continued_fraction_internal_unit_lenxemax_ry__xspectra_MOD_xniternamelist_nameiconv__xspectra_MOD_xeminroundcontinued_fractionflags/mit/espresso_v6.1/amd64_ubuntu1404/qe-6.1/XSpectra/src__xspectra_MOD_xcheck_convnamelist_name_lenlasttermcharacter(kind=1)xemax__result_continued_fraction__xspectra_MOD_xerrormp_sum_r1__st_parameter_commonxemin_ry__xspectra_MOD_xnepoint__builtin_sqrtxnitermaxuse_termxeminnpwxterminatorround_leninternal_unit_descpad_lenxcheck_convzdscal__result_convergelanczos_asynchronous_len__xspectra_MOD_xnitermaxc_charsignzdotccommonhpsixniterblank_lensize__io_global_MOD_stdoutcomplex(kind=8)lanczos_uspp__gfortran_st_write_doneiolengthinternal_unit__xspectra_MOD_xgammaxerror_gfortran_os_errorreal(kind=8)uniterrorsqrtdeltaesm1_psiconverge__builtin_mallocwvfctfreeblankareazaxpystdoutzdscal_xgamma_ryio_globalGCC: (Ubuntu 4.8.5-2ubuntu1~14.04.1) 4.8.5zRx LdBBB B(A0A8D 8A0A(B BBBC 8lzBED D(G`  (A ABBK L* BEB E(A0D8G 8A0A(B BBBK P BBE E(A0A8Jr 8A0A(B BBBJ .symtab.strtab.shstrtab.rela.text.data.bss.rodata.str1.8.rodata.rodata.str1.1.rodata.cst16.rodata.cst8.rela.debug_info.debug_abbrev.rela.debug_loc.rela.debug_aranges.debug_ranges.rela.debug_line.debug_str.comment.note.GNU-stack.rela.eh_frame @hP&O,O12P%@xH2B WP epw"rX) ?CH _0X0L_0|c0Rgz0m,mmH`@oHw H}       !d+FPpzd* m~ *=DLbx!49  GPq lanczos.f90.LC2.LC1.LC3.LC5converge___xspectra_MOD_xcheck_convlastterm_continued_fraction_lanczos___wvfct_MOD_npwx__xspectra_MOD_xnitermaxmalloc__xspectra_MOD_xnepointmemset__xspectra_MOD_xemax__xspectra_MOD_xemin__xspectra_MOD_xgammah_psi_zdotc___mp_pools_MOD_intra_pool_comm__mp_MOD_mp_sum_r1zaxpy_zdscal___xspectra_MOD_xniter__xspectra_MOD_xerror__io_global_MOD_stdout_gfortran_st_write_gfortran_transfer_character_write_gfortran_transfer_integer_write_gfortran_st_write_done_gfortran_transfer_real_writefree_gfortran_os_errorsqrtlanczos_uspp_sm1_psi__gfortran_transfer_logical_writempi_fortran_argv_null_mpi_fortran_errcodes_ignore_mpi_fortran_in_place_mpi_fortran_status_ignore_mpi_fortran_statuses_ignore_mpi_fortran_argvs_null_mpi_fortran_bottom_aN],K GY  !!+!8!@M"W f w#$% & '( !)' :&E 'M(ez *! ! ( +y   %    )  & '' (6 c x  )  & ' () 8 P * !  , & -: Q Xs . c / 0  / 1 -  # .5 : /\ 0n s / 2 1 3 3 , "0 <-[ }. :/0 V/213-R t. /0 ./21 455<B}  BU}!!!!!". : V#k$}7  % & '( !)6 > N7T g&r 'z( * *!1+  % & '( %:H)_ )!  7 &" '3(V * *Pr-  X. c/0 /%1+-? V x. /0 / , 3T8a1}3333 ,  '-F h.z :/0 V/21-> `.r w/0 ./21 455 33 E  * 1 8 a= !D Lt      F    A   # L. < A L Z j gx    " k   U    o    9$ - 2RY ` q  z     K !  `  K   A   ! f 8 HN     ( O 1 > M  V r e j 8t y       K   F   E G   r   / W> fM P[r %-8%W>t p    * Pcn `    $ AT_% yT K$ /G <j  Q   +   ( $ ~ w  c      + ' D > ` p ` w       -  G &   :  $ V3 Y r x     .,EZdq x p W a ;   |  # 0 B9 F U ^ m r 8|   -    g  E     & 4 0B MG V We ft  =P[ `n% RRk1DO ] 2Obm @L  )G^ q3>KXeFr$ G_~w7c*Okz)|(7Xe"<l:V(Ngd{.!:OYf  p  [ $ - 6 ZD R m[ d m Kv  0[ b q w * 9 q Q   ^ *  x X  7 N , &7 ?K \U _ i Is 1}  P    7 _  R F   # 9 D O `Z 4e <q A{ y  l  ?  u  -  ! %! 4! #M! S! Ab! q! xw!  ! ! ! ! *! 9! q! Q! ! ! ^! 7! N"  P( P@ P = pp