ELF4( UWVSt$t$tD$ D$D$$D$ |$\L$(t,D$ D$ D$$D$|$(1苟xtI1=D$,D$D|$dwǸ9D$D11D$PDDžDƉ$D$TD$d=D$($\D$<\ |$X|$,N|$@<|$`|$DD$h|$LD$h|$TD$0D$4D$,D$LljD$8D$4$PD$D$PuD$`D$D$D$8$D$0D$@D$4PD$8|$0uD$DD$LD$<D$dD$XP9D$<dD$(tD$$/D$(|$D\$Tl$@x|$8|$$‰D$4D$,\$0Z|$< ō4D$4~'D$0fX9u؋D$8D$0;|$t&D$ D$ D$$D$t$$D$x,$$tDŽ$dDŽ$hD$xDŽ$DŽ$DŽ$\ DŽ$`d$D$D$,$,$D$x$D$D$ D$D$$4FD$$D$ D$ D$$D$$,$$DŽ$dDŽ$hDŽ$DŽ$DŽ$`DŽ$\@$މD$D$,$t$D$,$,$t$$g,$DŽ$dDŽ$hDŽ$\DŽ$`dD$\|$<$fX9u؋L$(xpG1҉D$lD$8^D$ll$H݄$̓D$$t&݅PܭXT$lD$l݄u~X ؃9tG݄ĨHr݄İ݄0<ċD$$ܬ0<\&9]ًl$Hݜ$$,$$DŽ$dDŽ$hDŽ$DŽ$DŽ$`DŽ$\@$$$D$D$ D$,$DŽ$DŽ$DŽ$DŽ$DŽ$,$D$0݄$ݜ݄Ęݜ0<t$$D$$\D$XD$P,$@D$ $D$$\PD‰$|$4$D$P|$L$ ‹$\T$T$$D$P$$\T$$~$t$$\T$$P$vh2߉$D$X$D$P$D$$ N.t$0T$t$$T$$)މD$D$ 4$T$$a,$DŽ$dDŽ$hDŽ$\DŽ$`D$(p\$(tL$DD$X$D$$D$|D$(L$PL$TD$4L$H|L$8D$<$PD$T$@IwD‰$L$<|$D$!D$L$ 4$D$D$D|$ $|$T$@IȍE׉$L$LD$0L$LT$ t$L$L$DT$D$@D$D$0L$ $D$Dt$D$0 pD<$L$0D$!D$4$L$NjD$@|$D$ D$@t$D$8D$P,$D$ D$$D$$\D‰$$|$ t$T$D$@$\L$D$$$\~$t$$\t<$D$0D$0DD‰$|$@D$"D$|$ D$0$\L$D$$t<$$\Ot$0D$0$,$DŽ$dDŽ$hDŽ$DŽ$|PDŽ$\DŽ$`,$DŽ$dDŽ$hDŽ$QDŽ$DŽ$\DŽ$`D$8D$PD$ D$4D$D$$$$D‰$T$|D$ D$T$Ƌ$t$D$$$~D$|t$$DЉ$D$_D$t$ Nj$|$PT$$t4$$|$,$D$t<$D$D$<,$D$D$?,$D$D$@,$D$D$A,$D$D$e,$,$xU1؋t$HljT$0x݇PܯX\$l,$DŽ$dDŽ$hD$lɉT$lDŽ$jDŽ$DŽ$\D$lDŽ$`ݜ$$D$D$,$D$,D$ D$,$$D$$$DŽ$DŽ$D$DŽ$DŽ$L$(D$$݄$ܤD$D$,$ݜ$,$;\$0,$DŽ$dDŽ$hDŽ$\DŽ$`D$PD$HD$(D$XD$8P9D$(D$T$tļt[^_]|$0t$$|$P)D$D$ 4$t$\$$P)D$D$ 4$zmD$(xD$4N$\1D$P1sD$ $ $$Dt&'U WVSl$ DŽ$ CULE$DŽ$ MOLE$@DŽ$DŽ$DŽ$f$9uء($$lݔ$$ݜ$$ DŽ$ݜ$$ $DŽ$DŽ$$$$DŽ$ $1󫍼$X$(󫍼$(D$},$D$BqUѸ t fGt PuSULf$ $Ƅ$MƄ$ 2Ѹ tf t DŽ$$<t&|,$$|DŽ$DDŽ$HDŽ$PDŽ$hDŽ$@DŽ$lDŽ$pDŽ$<P$D$D$,$,$$D$PD$ D$ |D$l$$Z$D|D$D$PD$ D$ l$$Z$D\ ǍB󥉄$$ D$$D$0$D$PD$ D$,$DŽ$DDŽ$HDŽ$DŽ$DŽ$<D$D$D$ D$t$,$D$D$D$ D$#|$,$$D$D$D$D$ D$,,$$@D$D$D$D$ D$0,$D$D$ D$D$,$,$DŽ$@,$$D$D$D$D$ D$9,$DŽ$DDŽ$HDŽ$DŽ$DŽ$<D$D$ D$D$,$$D$D$D$D$ D$C,$D$D$D$ D$J\$,$$D$D$D$D$ D$T,$$D$D$D$D$ D$\,$$D$D$D$D$ D$i,$D$D$ D$D$,$,$DŽ$@,$$D$D$D$D$ D$q,$DŽ$DDŽ$HDŽ$DŽ$DŽ$<$D$D$D$D$ D$,$D$D$ D$D$,$$D$D$D$D$ D$,$$XD$D$D$D$ D$,$D$D$ D$D$,$$D$D$D$D$ D$,$D$D$ D$D$,$$,D$D$1D$PD$ D$,$D$D$ D$D$,$$lD$D$1D$PD$ D$,$D$D$ D$D$,$$ D$D$1D$PD$ D$,$D$D$ D$D$,$$D$D$D$D$ D$,$$ D$D$1D$PD$ D$,$D$D$ D$D$,$,$DŽ$@,$$,$DŽ$DDŽ$HDŽ$lDŽ$pDŽ$<DŽ$@D$3D$,$,$$ D$D$0D$PD$ D$,$DŽ$DDŽ$HDŽ$DŽ$DŽ$<D$D$D$ D$t$,$D$D$D$ D$#|$,$$D$D$D$D$ D$,,$$@D$D$D$D$ D$0,$D$D$ D$D$,$,$DŽ$@,$$D$D$D$D$ D$9,$DŽ$DDŽ$HDŽ$DŽ$DŽ$<D$D$ D$D$,$$D$D$D$D$ D$C,$D$D$D$ D$J\$,$$D$D$D$D$ D$T,$$D$D$D$D$ D$\,$$D$D$D$D$ D$i,$D$D$ D$D$,$,$DŽ$@,$$D$D$D$D$ D$q,$DŽ$DDŽ$HDŽ$DŽ$DŽ$<$D$D$D$D$ D$,$D$D$ D$D$,$$D$D$D$D$ D$,$$XD$D$D$D$ D$,$D$D$ D$D$,$$D$D$D$D$ D$,$D$D$ D$D$,$$,D$D$1D$PD$ D$,$D$D$ D$D$,$$lD$D$1D$PD$ D$,$D$D$ D$D$,$$ D$D$1D$PD$ D$,$D$D$ D$D$,$$D$D$D$D$ D$,$$ D$D$1D$PD$ D$,$D$D$ D$D$,$,$DŽ$@,$$~l@$@܈p9u$@9u$T(t&hݘ9u,$ݜ$DŽ$DDŽ$HDŽ$lDŽ$pDŽ$<DŽ$@D$D$ ,$,$$DŽ$$$|$ $ljL$dt&,$DŽ$DDŽ$HDŽ$lDŽ$pDŽ$<DŽ$@D$D$0,$D$t$,$$ ݄$@ vH݄ˠ9ʉ}$ܼ8D$|$,$ݜ$$D$,$D$$D$P<$|D$ D$dD$$,$D$$D$$~$t$,$$9D$ P$Z$$ ,$DŽ$DDŽ$HDŽ$<DŽ$@,$,$DŽ$DDŽ$HDŽ$lDŽ$pDŽ$<DŽ$@,$D$AD$p,$,$DŽ$DDŽ$HDŽ$lDŽ$pDŽ$<DŽ$@,$D$AD$,$,$DŽ$DDŽ$HDŽ$lDŽ$pDŽ$<DŽ$@,$D$AD$,$,$DŽ$DDŽ$HDŽ$lDŽ$pDŽ$<DŽ$@,$D$AD$<,$,$DŽ$DDŽ$HDŽ$lDŽ$pDŽ$<DŽ$@,$D$AD$,$,$DŽ$DDŽ$HDŽ$<DŽ$@,$l[^_]Í&݄èك9}S$ 1D$$PIwD‰$D$5D$|$4$$ T$D$ T$ OT$ `$D$`$PDŽ$DDŽ$H#1҉,$DŽ$``DŽ$<DŽ$@IЉ$\$DŽ$$$|$ $ljL$d,$DŽ$DDŽ$H(DŽ$lDŽ$pDŽ$<DŽ$@D$D$0,$D$t$,$$Y݄$@KvH݄ˠ9ʉ}$ܼ8D$|$,$ݜ$$D$,$D$$D$P<$|D$ D$dD$$,$D$$D$$~$t$,$$9D$ P$Z$1IDžR=rҸE‰$b$D$xm$|$t$|$d$D$h|$pf݄$ܬ$D$|$DŽ$D$hɉD$lD$|ݔ$݄$1T$(݄$ɉD$`\$05\$8\$@݄$\$H \$P\$XD$Xܤ<(\$ t$H$D$ D$0|$8L$(L$PL$@܌<@>;|$`uT$lЃ$1t&ƃ9u,$ݜ$DŽ$DDŽ$H4DŽ$l=DŽ$p DŽ$<DŽ$@D$pD$,$D$D$dD$,$D$$D$ D$,$$D$tDŽ$DŽ$DŽ$D$$DŽ$,$D$xD$h9D$ht/$݄èك9}k4$,$DŽ$DDŽ$H8DŽ$<DŽ$@jvf E }AUT$t$$`T$ P)`D$D$ 4$T$ - ,$DŽ$DDŽ$HGDŽ$lDŽ$pDŽ$<DŽ$@D$D$G,$,$$DŽ$[$t$t$\D$@$t$ $D$d$t$H$D$(D$pD$(ܧ`DŽ$DDŽ$HJDŽ$lXDŽ$pܯDŽ$<DŽ$@,$D$D$k,$D$HD$,$D$D$t$,$D$|$,$`D$D$,$D$ D$PD$ D$pD$D$d$$$,$T$D$T$0D$8T$0~D$8t$,$D$(D$ P;D$@$D$tD$$D$$$DŽ$~/t$t1݄ܤ9u$D$tD$$D$(f 1$D$tED$+$$$D NEXAFSPDOS-perror in modeREAD(A)#..datNO(A15,4A20)#E-dBE(eV)TOTXYZ(1f15.6,4g20.9)(A15,4A20,A15)#E(eV)E-dBE(1f15.6,4g20.9,1f15.6)(i3.3)xanes.dat.pdosp.dat.controlxpsnexafsToo many atoms: change MAXAT and recompile.# NEXAFS analysis running with the following input:## CLSs follow(A,i3,f10.3,f15.7,1x,A)#cls .XPS.dat(102f15.7)## eshifts follow(A,i3,3f20.10,1x,A)#es N N EEEEE X X A FFFFF SSSS DDDD OOO N N EEEEE NN N E X X A A F S D D O O NN N E N N N EEE X A A FFF SSS D D O O N N N EEE N NN E X X AAAAA F S D D O O N NN E N N EEEEE X X A A F SSSS DDDD OOO N N EEEEE .xspectraX.dat.xspectraY.dat.xspectraZ.dat$4@@DInteger overflow when calculating the amount of memory to allocateAllocation would exceed memory limitmolecularnexafs.f90syslabeldoxpsdonexafsnatatweighterangexpsnptxpsdelorentzdegausslorentzratioetotfchdosingleatomserangenexafsnptnexafsefermievacuumprefixsuffixatlabeldopdosppdospfileUE D$E$D$($1??p6+@-DT! @' @?6f,7-;&&W-P0.& ### 8 ## #8 #(#,#$8&-& -'--Y-Y-& -Y -&, -C 0.&W ### 8  /iat-LT j&iat-ie-w&xps3Y[&nat-mGGr ,Y-}=&&&,?uAGiatB-,nat-KGkGr ,`N`;u`G6mWiatk-k-iek-jk-jjek-#lWeYjh[nlk-bjwj&jj9g -nat-mGYr ,f6'i&w&l&s&x&M&-&w&l&&&w&s&&YP#,P#,P#nat-P#mGP#}P#-P#&P&P#=&P#GP#(,P#,P#P#-P#kGP#KGP#P#-r P#P#!P#*  L L! L!!!!!!!'!2!=!H!S!^ `N301"}Z"sp"i#_03H"#H$30%tK&K&&3h"#h '*)0%tu'*2%tu%t %t>'*2 %tu'+)0"%tu'+2G%tu%t0%t5'+.2i%tu%tv%t4'-,G2%tu%tw%t8'O,G2%tu%t8',`2%tw%tK%tP',2%tu(,2',2%tu'/2 %tP%td'/2> %tv5$1v5$0.('02{ %tv%tK%tw%t d%t8%t5(=02'g02 %tP%t`'02 %tu'"1)0 %tu':12 %tu%t0%t5'N1.2 %tu%tv%t4'1G26 %tu%tw%t8'1G2Q %tu%t8'2`2v %tw%tK%tP'=22 %tu([22'c22 %tu(22'k4)0 %tu'4G2 %tu%tK%t8'4G2 %tu%tK%t8'4c49 %tu%tK%t8%t 0'52N %tu'J52c %tv'~54x %tu'54 %t`%tK%tv'64 %tv%t %tHw'$95 %t$095%tD), '0-)0 %tu'8-22 %tu'-)0G %tu'-2m %tu%tp%tA'-2 %tu'-)0 %tu'.2 %tu%t%tA' .2 %tu'V.)0 %tu'n.2 %tu%t%tA'v.2" %tu'.)07 %tu'.2] %tu%t<%tA'.2r %tu'*/)0 %tu'B/2 %tu%t%tA'J/2 %tu'~/)0 %tu$/2%tu)j6*6 wL L!!!!!!!'_6)0P%tu'w62u%tu%tG%tA'62%tu'J7)0%tu'b72%tu%tk%t4'z7.2%tu%tK%t4'7G2 %tu%tv%t8'7G2,%tu%tw%t8'7G2O%tu%tw~%t8'7`2%tK%tK%tP%t K'82%tu%tK%tK'82%tK',82%tu'g8c%t%tK%t6$8c%t%tK%t6'&%59%tu%t>'^)0N%tv'y.2q%tv%tL%t4'2%tv'2%tZ%tv%t:%t %tP'2%tZ%tv%t:%t %tP'H5'%tu%td%t%t 1%tP%t0'H5_%tu%tv%t%t 4%t0%t@'H5%tu%tw%t#%t 4%t0%t@'NH5%tu%tW%t,%t 4%t0%t8'H5 %tu%tU%t0%t 8%t0%t 'a58%tu%t0%t1%t 1%tD'5M%tu'5b%tu'.H5%tu%tP%t9%t 8%t0%t 'Va5%tu%t0%t1%t 1%t2'H5%tu%tV%tC%t 4%t0%t8'H5;%tu%ts%tJ%t 8%t0%tH'H5t%tu%tP%tT%t 8%t0%tH'H5%tu%tP%t\%t 8%t0%tH'NH5%tu%tP%ti%t 8%t0%t 'va5%tu%t0%t1%t 1%tD'5*%tu'5?%tu'H5x%tu%tW%tq%t 4%t0%t@'. H5%tu%tV%t%t 8%t0%t 'V a5%tu%t0%t1%t 1%t2' H5%tu%tW%t%t 4%t0%t8' H5T%tu%tQ%t%t 8%t0%t ' a5%tu%t0%t1%t 1%tD'!H5%tu%tR%t%t 8%t0%t '?!a5%tu%t0%t1%t 1%tD'r!H5%%tu%tq%t%t 1%tP%t 1'!a5R%tu%t0%t1%t 1%tD'!H5%tu%t}%t%t 1%tP%t 1'!a5%tu%t0%t1%t 1%t3'("H5%tu%tW%t%t 1%tP%t 1'P"a5$%tu%t0%t1%t 0%tD'"H5]%tu%tV%t%t 4%t0%t@'"H5%tu%td%t%t 1%tP%t 1'"a5%tu%t0%t1%t 1%tD'"5%tu'"5%tu'Q#)0%tu'i#2+%tu%t%t3'q#2@%tu'#H5{%tu%td%t%t 1%tP%t0'$H5%tu%tv%t%t 4%t0%t@'3$H5%tu%tw%t#%t 4%t0%t@'f$H5$%tu%tW%t,%t 4%t0%t8'$H5_%tu%tU%t0%t 8%t0%t '$a5%tu%t0%t1%t 1%tD'$)0%tu'$2%tu'F%H5%tu%tP%t9%t 8%t0%t 'n%a5%tu%t0%t1%t 1%t2'%H5W%tu%tV%tC%t 4%t0%t8'%H5%tu%ts%tJ%t 8%t0%tH'&H5%tu%tP%tT%t 8%t0%tH'3&H5%tu%tP%t\%t 8%t0%tH'f&H5<%tu%tP%ti%t 8%t0%t '&a5i%tu%t0%t1%t 1%tD'&)0~%tu'&2%tu''H5%tu%tW%tq%t 4%t0%t@'F'H5%tu%tV%t%t 8%t0%t 'n'a54%tu%t0%t1%t 1%t2''H5m%tu%tW%t%t 4%t0%t8''H5%tu%tQ%t%t 8%t0%t ''a5%tu%t0%t1%t 1%tD'/(H5%tu%tR%t%t 8%t0%t 'W(a5=%tu%t0%t1%t 1%tD'(H5y%tu%tq%t%t 1%tP%t 1'(a5%tu%t0%t1%t 1%tD'(H5%tu%t}%t%t 1%tP%t 1' )a5%tu%t0%t1%t 1%t3'@)H5K%tu%tW%t%t 1%tP%t 1'h)a5x%tu%t0%t1%t 0%tD')H5%tu%tV%t%t 4%t0%t@')H5%tu%td%t%t 1%tP%t 1')a5%tu%t0%t1%t 1%tD' *)0/%tu'*2D%tu'95c%t%t++Q.,,, vp#`/: Dv Pęv!ht$ Зv v v { q# q# q#- q#! q# q# q# q# q# )q# 4q#- \ 'D5 %t6%t%t6%t 'l5 %t6%t%t6%t (2'2!%tP%tv'5G!%tv%t0%tv'{2f!%tP%tv'2!%ts5$ws5$0.('2!%ts%tv%tԖv%t v%tw%t!'2!%t6%tЖv'2!%tw'<2?"%tԖv%tw%ts%t v%tv%tЖv'H2T"%tv'h2}"%tv#1v .('2"%tv%ts%tԖv%t w%t4%t"'2"%tw'2"%ts'2"%tu')0#%tu'`2>#%tԖv%tv%tP%t v(2'2m#%ts%tw%t  (32(R2'2#%tw%t s%t:%t2'2#%ts'2#%tu%tw'2#%tw'2$%tu%t<%t3'2;$%tu%t?%t1'2`$%tu%t@%t1'2$%tu%tA%t1'"2$%tu'i)0$%tu'q2$%tu'7)0$%tu'RG2$%tu%tv%t8'c4%%%tu%tw%t8%t 0'2:%%tu'@ )0O%%tu'p G2q%%tu%tw%t8' c4%%tu%tw%t8%t 0' 2%%tu' )0%%tu' 2%%tu'l 5&%t6%tЖv%t6%t ' 54&%t6%tЖv%t6%t ' 2I&%tu'< 5w&%t6%tЖv%t6%t ' 5&%tu' 5&%tu%tęv%t' 5&%tu' 6&%t%tęv%t1%t  %t0'? 5('%t6%tЖv%t6%t ' 5='%tu' 56o'%tu%tԖv13$" q%t8' 56'%tu%tv%t8' 5'%tu'$ 4'%tu'5'%tu'N6'%tu%tv%t8%t 0'5(%tu'o`2A(%tu%tv%tP%t v# (2'2p(%tԖv%tP%tw(2(2'?%5(%ts%tv%tP'4(%ts%tԖv%tv'4(%tv%t '4(%tu'h2)%tP%tv'2E)%tv5$vv5$0.('2)%tv%tv%tw%t v%tv%t!'2)%t6%tw'2)%twvw0.('&2*%tv%tv%tv%t v%tv%tЖv'62&*%tv'P2;*%tw'~2{*%tv%tw%tv%t v%t1%t!'2*%tv'`2*%tu%tԖv%tP%t v(2'2*%tv%tv%t w(2'32+%tw(P2'2H+%tv%t w%t4%t"'2]+%tw'2u+%tv'2+%tu'Y)0+%tu'}`2+%tԖv%tv%tP%t v(2'2,%tv%t1%t  (2( 2'=2>,%tw%t v%t6%t_'I2S,%tv'c2o,%tu%tw'o2,%tw'2,%tu%t<%t3'2,%tu%t?%t1'2,%tu%t@%t1'2-%tu%tA%t1'2=-%tu%te%t5'2R-%tu')0g-%tu'G2-%tu%tv%t8' c4-%tu%tԖv%t8%t 0'>G2-%tu%tԖv%t8'F2-%tu'4.%tu.2'44.%t%tw%tv'4].%tv%t %tPv'4.%t%ts%tv';4.%tv%t %tLԖv'5.%t %t='5.%t$5%tD/6/6/60Bp6+@1piB-DT! @/6/A6/6d0=(i3.3)2dp63-80464v0'l6/%tu%tu '/6/%t7%t((4W5 0B6exp&)07&8807805>09T1:u1;rec1:1$:1(:60,:00:]-4:-8:90<:0@:-D:'-H:0L;u1P{1: -: -:0:#- :-:0:15-"5111 1b82780747-8.27808 G2780747-8`2780747-8~2717~27-7050?(274@#-27-70A4272827-707-707-70837353>c4:u1:-:- :20$: 0(:z-,:-0:04:08:-<:"-@:0D:!0H:|-L::-P:30T:0X:"-\:-`;pad0d:0h:_-l:q-p:0t:0x:-|:S-:G0:0:h-:J-:E0:18g4780747-7-8847454>p$4:u1: 0:z- B4474747154CA45747-728G570D8%570A[4H57474728*a578074748I57807-7-7-7-85780857808|5707-@ -57-707-70B45747-718S6780747-@-567-707-707,8RN6780747-8l6780747-7-867-7~2E7-71% B U$ >  &I I!I/  PNI !"/Q !I/ !I" / PNI .: ; @Bj6 4: ; I4: ; I.: ; 4: ;I4: ;I4: ; I: ;II44: ;I ': ;I.: ;I : ;I4I4.: ; 4: ; I1RUX Y U41 41!41"1#1$1%B&1RUX Y'1(1)1X Y* +.1@HB,1-1 .B1/': ; I 0': ; I 1': ; I 2': ; I 3.?: ;I@B4: ;I5 I6.?: ; nI<7I8.?<9 : I8 ; I8 < I8= I8> ?.?: ; n<@.?I<A.?: ; nI<B.?I4<C&DE.?<[*l*[22125K#5 5K#95B5K#34P34P34S33.K&K&K&"K& &K&K&"34P33 &K&33K& &K&"336K&K&w" &K&w" &K&"g1gv#v#c1cWE0E5v1U SU s SC Yv#pv#O0OؖvؖvHg1g1v 0 ;4w;B5wBD4wC YvY^4w^e5wep4wpvcv1vR1^v{1 v# % v#R 1 r#r#?r8GrYpv1.s.FS  1 2 P p q  0 H ԖvH  V  P Ԗv ?V?8Ԗv8GV$098*,/55689909333333333333330988 molecularnexafs.f90q5iF$&7.9Ws=՝5$Ԓ2WJ>1<8u!g(r=z<,,3, g,F7u,z@F4$BYx<tzb.69IH4!QJ'vhw< ttXmFa?~#6 JX6 JX6*r"]yf:zcp ƭx vyPrvKiV=-^N??+jU"19wg=J,tc<jjjjj~< a:J,t"=>gK-/IX~J5yyfrJ~f̟;uyz{e9NJ<E%Jjq,gW/#;#Lf4</dopdosp__result_gaussianetotavposition_gfortran_st_set_nml_varlogical(kind=4)round_lenformat_lensign_lendecimal_lenerangexpsinpunitmallocnexafsanalysissizetypesyslabel_gfortran_transfer_real_writeiolengthnexafsout_gfortran_set_optionsoutunit_gfortran_string_indexmodeinteger(kind=8)fileinteger(kind=4)round__result_pseudovoigtpdos_gfortran_transfer_array_writegaussian__builtin_memset_gfortran_transfer_character_writememcpyiomsginternal_unit_gfortran_st_writenamelist_namefmtsingleatunit_gfortran_set_argslinefreelorentzian_gfortran_st_closeevacuum_gfortran_transfer_character__st_parameter_closestderriomsg_lenformatfileinpdoxpsrecl_inmemset__builtin_expfilenamexdumformiostatnptxpsinternal_unit_len_gfortran_st_write_doneprefix_gfortran_transfer_arrayactionaction_lenasynchronous_gfortran_transfer_realnexafsspeceshiftposition_lenadvance_len/mit/espresso_v6.1/i386_ubuntu1404/qe-6.1/XSpectra/srcaccess_gfortran_concat_stringmemmoveerangenexafsargcry2evflagsxpsoutetotfchstatusnamelist_name_lenwhichcolcharacter(kind=1)getxps__builtin_memmoveatweightargv__st_parameter_common__builtin_freesign__result_lorentzianmaxdata__builtin_mallocbyebyeydumdelorentzaccess_lenencodingconvertmain_gfortran_compare_stringblank_lengetnexafsinternal_unit_desc_gfortran_st_set_nml_var_dimGNU Fortran 4.8.4 -mtune=generic -march=i686 -g -O3 -fopenmp -fintrinsic-modules-path /usr/lib/gcc/i686-linux-gnu/4.8/fincludepad_lensuffixencoding_lendosingleatomsnptnexafspdospfile_gfortran_string_len_trimlorentzratioasynchronous_lenxpstotc_charpseudovoigtcommon_gfortran_stop_stringdelimidirsizemolecularnexafs.f90newunitinterpolate_sum_output_gfortran_st_read_donestdin_gfortran_string_trim_mode__st_parameter_opendelim_lenreal(kind=8)advancemaxat_gfortran_runtime_errorconvert_lenefermiatlabelstatus_len_gfortran_st_readform_lendcorebefile_len_gfortran_os_errordegaussblank__st_parameter_dtdecimal_gfortran_st_openstdoutcharacter(kind=4)donexafs_gfortran_transfer_integer_writeGCC: (Ubuntu 4.8.4-2ubuntu1~14.04.3) 4.8.4zR| @AA AAF  AA AAE @` AF FAF5 AA AAH 8AB t .symtab.strtab.shstrtab.rel.text.data.bss.rel.rodata.rodata.str1.4.rodata.str1.1.rel.text.startup.rodata.cst4.rodata.cst8.rel.debug_info.debug_abbrev.rel.debug_loc.rel.debug_aranges.rel.debug_ranges.rel.debug_line.debug_str.comment.note.GNU-stack.rel.eh_frame@09 %9 +0:40:D0 d<2t=iK2=^>8Z |  l> y>0(?6 ` um&y `}( \} tt~ T0hA0,Չ؉  d '=PL Z ak u`P (    5Xp "5NV]s8 molecularnexafs.f90interpolate_sum_output.1839.constprop.0nexafsout.1873whichcol.1968MAIN__A.86.2286A.88.2290A.87.2288xpsout.2186options.100.2322_gfortran_compare_stringmalloc_gfortran_string_len_trimmemset_gfortran_concat_stringfree_gfortran_st_open_gfortran_st_write_gfortran_string_trim_gfortran_transfer_character_write_gfortran_st_write_done_gfortran_transfer_real_write_gfortran_transfer_array_write_gfortran_st_read_gfortran_transfer_character_gfortran_st_read_done_gfortran_string_index_gfortran_transfer_real_gfortran_st_close_gfortran_transfer_arraymemmovememcpy_gfortran_stop_string_gfortran_runtime_error_gfortran_os_error_gfortran_transfer_integer_write_gfortran_st_set_nml_var_gfortran_st_set_nml_var_dimexpmain_gfortran_set_args_gfortran_set_options@Ph !w " 8"D#dl"##$Tj%&"/#N]"#'#''''(?e%m(3%N)*(  < %l ) * (  % (P h      $ 8 f   + , -  .# ; b  + / / -  0X+1-k&"##;23!0d " ""2#LXz"#&"#/#LX"## $/U%y&"#9"E#_'k#{'''''(8X%) *:)B(\03!3#7!456+5BHbv|"2p?Z%u7}(""88 8BJ8u}89+-*8R9}8888BJ8r9+-8" * 8R 9}  8  8 9 !!8;!9f!n!8!9!!8!9"$"8L"9w""8""8"9"+"-#'#M#%]#e#'m#(####8#$8#$/$8Z$b$8$$8$9$%$(%%'%B%8j%9%%8%%8%%8'&/&8Z&b&8&9&%&(&&&'8:'B'8j'9''8''8'9#(+(8S(9~((8(9((8 )94)<)8d)9))8))8)9*% *(h****%**'*(B+X+~+%++'+7+,),)K,){,&,',#,(-,-%4-(B-X-~-%--'-(---%-.'.(.,.R.%e.j.'r.(...%..'.(./&/%9/>/'F/(T/z/%/(/ //0"(090#A0S0c0 s00$001%.161'J17_111)1)2&92'W2#_2(2o3333:+4A4g4%4)4)4*5(F5#T5z505555356!656[6%k6s6'{6(67F7%V7^7'v777)7)7)7&8'8#(8(Z889949 95'9,96#<+=0 ")0/X^n(3>IT_kx $Q]i *5@O ASdv$6HZpt(2;DHXbkp#<Hj ? v |         7 R w        : O d y          3 H a n         # 8 Q ^ s        <Qjv -P:Or(H` 9Nc$<]u+@ay;U &St%F^,Ab| %F`@Xx#=j5Vn>_z1Ly0EWh       ! !H!g!!!!!!@"U"~""""""#?#H#h#n#w####### $$0$<$U$a$z$$$$$$$&%;%P%r%%%%%&&/&5&J&r&x&&&&&&#')'>'p''''''(B(K(q(z((((())F)))))*'*<*v*|******++C+I+^+v++++++, ,,9,?,T,p,,,,,,,, --2->-S-h-----..!.5.U.^.p.........///C/O/[/g///////// 00*0?0J0^0h0r0|00000000000 11 1+161L1W1b1m1x1111111111122 2/2H2a22222222233#3-373A3K3U3_3i3s3}3333333333333 444'414;4E4O4Y4d44444444455&5,5I5b5555555666O6m66#04AEZ^pt (,pt|$(04>BLP`dlpz~'+59AESWeiqu~$(04>BIMTXbfmq{  $048<HLPTX\hlptE d