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P1LIظDcDHcHHDDAALHMcHIOnHHPHDŽ$HDŽ$P#1H$@IHDŽ$pDŽ$@$lDŽ$DHc$D$pH$H\$pL$IH$@$HDŽ$HDŽ$P(HDŽ$DŽ$DŽ$@DŽ$DH$@H$@HHc$$H$f.fDHHf.=H9H}HcD$pH$@L$^$HcD$pH$@H(HcD$pPLLHHH$H$H$@$$~H$Ht $H$@$D$p$P9ʼnT$p:Hc$1HIHHHEHH$D$`H$fWL$D$@Ht$XH$\$HLt$hHt$PD$8*L$@$@Lc$D$p\EY*^X$.$ AFL$0$0H$f(L,=E1Yl$^\t$|$(5D$ $(f(YY\$0^t$8ff(T$C\ <YY $^D$0fW $d$ XL$YD$8T$^YD$(L$YXBYL=B ;IM9yAFD$pMfWXDHI9}H$@$HDŽ$HDŽ$P4HDŽ$DŽ$ DŽ$@DŽ$DHt$PH$@Ht$XH$@Hc$Ht$hH$@1ɺHDŽ$HDŽ$HDŽ$H$HDŽ$H$H$@D$@D$`9D$@/$Df(HH9_f(}HH$@HDŽ$HDŽ$P8DŽ$@DŽ$Df(¸'fW]f(¸h+LHPI$ L)HviH$@HDŽ$HDŽ$PGHDŽ$DŽ$L$DŽ$@DŽ$DH$@H$@$D$pH\$pH$$H$L$MAH\$HD$XH$Lt$HD$PMH$@HDŽ$HDŽ$PJ\`HDŽ$DŽ$DŽ$@DŽ$D\A$H$@Ht$H$@H$@LH$@HH`H$@Ht$XH|$PLP$L$H$@L~ MtLH$@IHIPDl$pAD;,$Lt$L$ L$X$D$p~~L$0L$11A fA(fALf\fA)H9w9GtH(\ĀĘT$pL$ LI1믾+ 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.f90syslabeldoxpsdonexafsnatatweighterangexpsnptxpsdelorentzdegausslorentzratioetotfchdosingleatomserangenexafsnptnexafsefermievacuumprefixsuffixatlabeldopdosppdospfileH1H??p6+@-DT! @?' @??p6+@p6+@:?F**b1P0.* # #(#8 #8#@#08 #P#X#H8*1* 1'?1d1d1*1d& 1*7 1 0.*b # #(#8 !3&iat?J }*iat?ie?w*xps>d*nat?RR&7d?***?ARiatB?7nat?&RR7`a`F`R:mbiatk?k?iek?jk?jjek?lbedhfnlk?jwj*jjg ?nat?Rd&7f:'*w*l*s*x***w*l***w*s**dO#7O#7O#nat?O#RO#O#?O#*O*O#*O#RO#(7O#7O#O#?O#RO#RO#O#-O#O#!O#  J J! 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