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AphAhA1CH8[]A\A]A^A_AW1AVAUATIUSHHxHl$0Ht$(Ht$PH|$LHkDl$0EHt$@1HLD\$0EHD$DE|$PHt$`1LDL$`EHD$AAT$$|$$ )D$$D$$HL$(D3Hi5 IL5 YDAhA1Hl$L$$Iٹ4hAhA@aLDD$0ED3ExoD;t$@thI5 M9tzEyL1H,$MAhA4hAhA@a|$0t1AH iAhAZBD3EyfL5 @aI5 'M9uHD$D$$Di`yD~i3L$`SDiHD$(HT$`4hAHl$L$$IAhA@aAMcIJ<1L$0|xF;D$@t@Hx[]A\A]A^A_ÐHT$`A hA"hA1A&f.HD$D(E~HD$(Icվ@aHJ<9Hx[]A\A]A^A_f.AHhAhA1AE@AHhAhA1@W@AH꾯hAhA1@@D$$HT$`H,$MAhA4hA@aDiHD$(AMcIJ<1T$0AH6iAhA1K@fDAH!iAhA1!@`fff.AW1AVAUATIUSHHxHl$0Ht$(Ht$PH|$LHDl$0EHt$@1HLD\$0EHD$DE|$PHt$`1LDL$`EHD$AAT$$|$$ )D$$D$$HL$(D3HiILYDAhA1Hl$L$$IٹhAhA@mLDD$0ED3ExoD;t$@thIǀM9tzEyL1H,$MAhAhAhA@m|$0t1AH iANiAz>D3EyfL@mIǀGM9uHD$D$$Di`yD~i3L$`SDiHD$(HT$`hAHl$L$$IAhA@mAMcIJ<1L$0|xF;D$@t@Hx[]A\A]A^A_ÐHT$`A hA"hA1=&f.HD$D(E~HD$(Icվ@mHJH|$HD$iAD$ Hd$@D$\$$uHİ[1AjAjAjA#Hİ1[ÐAWAAVIAUIATL%E UH-E SL)1HH}HtLLDAHH9uH[]A\A]A^A_ff.HHspectra_correction.f90cross_section_fileoptionxe0shift_spectrumelementconv_typeemin_convemax_convnenergy_convgamma_holegamma_maxectrcross_section_l3(a)-input-inp-in-iOLDFORMATTED input file not foundiosysinput_manipreading input_xspectra namelistinput_xspectracut_occ_statesadd_L2_L3convolutionOption not recognizedProgram is stoppedunknownformattedCALCULATION TYPE:.cutL2L3Energy of L2 edge (eV) = Energy of L3 edge (eV) = SO splitting = .L23case Bistart=lorentzPlease specify core-hole width gamma_hole (eV)Convolution with constant lorentz broadening gamma_hole=lorentz_atanPlease specify width gamma_max (eV)Please specify Ectr different from xe0 or use standard lorentz broadeningConvolution with variable (atan) lorentz broadeninggamma_hole=gamma_max=Ectr= xe0=Ectr-xe0=.convoluted.atan_convolutedDAllocation would exceed memory limitAttempt to DEALLOCATE unallocated '%s'At line 343 of file spectra_correction.f90:0yE>?ư>-DT! @?-DT! @-DT! @K1L1L2L3(3A)For thethe tables are missing !!Could not find the element in the table of edge energies!H HeLiBeB C N O F Ne5@Na>@MgH@Al R@SiX@P `@S Pd@Cli@Ar o@K ir@Ca@3u@Sc@3x@Ti\|@V 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Ņ@Ne1@Na@3@Mg\@Al\@Si@P à@S P@Cl @Ar @K 0@Ca@Sc@Tif@V Y@Cre@Mn@FeȻ@Co@NiF@Cu@Zn@Ga?@Ge@As-@Se@BrQ@Kr@Rb@Srt@Y @Zr@Nb@Mo@Tc@Ru@@Rh@Pd@Ag@Cd@InI@Sn@Sb@Te@I 2@Xe @Cs @Ba H@La@Ce`@Pr@Nd F@Pm@Sm@@Eu@Gd@Tbc@DyC@Ho@(@Er@Tm@Yb@Lu@@Hf@Tau@W P@Re@Os@Ir@Pt#@AuP@HgI@Tl@PbP|@Bi@Po@At _@Rn@@Fr@Ra _@Ac0@Th0@Pa}@U `9@gaunt_mod.f90@{Gz?)\(?;D@`! @Perror_handler.f90 +++ +++ +++ +++ +++ +++ +++ +++ +++ +++ +++ +++ +++ +++ +++ Fatal error in routine `': Warning from routine ` Called by (I6)(/,1X,78("%"))(5X,"Error in routine ",A," (",A,"):")(5X,A)(1X,78("%"),/)(" stopping ...")CRASHUNKNOWNAPPEND(5X,"task #",I10)(5X,"from ",A," : error #",I10)(5X,"Message from routine ",A,":")mp.f90( "*** error in Message Passing (mp) module ***")( "*** error code: ",I5)}~{|wxyzstuvopqrklmnghij_`abcdef[\]^WXYZSTUVQOLKJIHGEFNM error in mpi_barrier mp_synchronize  error in mpi_bcast 1 bcast_real error in mpi_bcast 2 error in mpi_bcast 3  bcast_integer  bcast_logical error in mpi_comm_sizereduce_base_realerror in mpi_comm_rankerror in mpi_reduce 1error in mpi_allreduce 1error in mpi_reduce 2error in mpi_allreduce 2reduce_base_integerreduce_base_real_toreduce_base_integer_toparallel_min_integerparallel_max_integerparallel_min_realparallel_max_realB@Afind_free_unit.f90free unit not found ?!?find_free_unit(); XвP(ph@X` pXp 0P 0@@ p  8 P P x 0   pp   `  0 ( @   !0 !X !p # $p%8%P`&p(`+-`/04(P7x8AKXPPUYHYh0Z`Z]aHPd gk8n@qpr w`y`~P p``0pP p``0ЭHpp0бPp0@p(@0p0 `xH P!!` "@""@""0@#zRx Į*zRx $0@FJ w?;*3$"LDXBEE B(A0D8D`a 8A0A(B BBBF ,DADJ2AAL.B[B B(A0A8Gh 8D0A(B BBBE x$D_L,PJBBB B(A0A8G 8A0A(B BBBA L|PBBB B(A0A8G 8A0A(B BBBI L(BFA A(G@M (A ABBD  (A ABFA LBFB B(A0A8Gd 8E0A(B BBBI LlBMH H(G0C8L 8A0A(B BBBA \ DBBE A(D0GR 0A(A BBBA w 0A(A BBBA  4HQ,T|BID J ABD <XBID G ABG Y ABA LtBBB B(A0A8JM 8A0A(B BBBA 4RDD J AABLd|AGy$APD`AA@%D `$XAPD`AA%D `$APD`AA<%D `$TAPD`AA| %D `L8BGB B(A0A8N8A0A(B BBBLlBGB B(A0A8ND8A0A(B BBBL4nBGB B(A0A8NF8A0A(B BBBL BHB B(A0A8N8A0A(B BBBL BBH B(A0A8Nm8A0A(B BBBL$ lBBI B(A0A8GI8A0A(B 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B(A0F8D8A0A(B BBB,BPD D` AAB D [LBBB B(A0A8Nh8A0A(B BBBLDBGB B(A0A8N8A0A(B BBBLBJB B(A0A8N8A0A(B BBBL(PBIB B(A0F8G(8A0A(B BBB44(BQD A(Dp(A ABBl D [LsBHB B(A0A8NJ8A0A(B BBBLBBB B(A0A8N8A0A(B BBBL$BHB B(A0A8Nq8A0A(B BBBLt:BIB B(A0F8D8A0A(B BBB,BPD D` AABx D [L BHB B(A0A8Nq8A0A(B BBBL\Г:BIB B(A0F8D8A0A(B BBB,BPD D` AABP(D0ch0D a A x+D \ A 4/D ` A <TBEI K(Dp (A ABBA 8+D \ A H+D \ A X'D0bpD Y,xeAFG0@ AAA L4BRB B(A0A8G 8A0A(B BBBA 4hBKI D  AABA  9D tdH BBB E(A0A8DpS 8A0A(B BBBB 8A0A(B BBBd< BBB E(A0A8DpS 8A0A(B BBBB 8A0A(B BBBd BBB E(A0A8DpS 8A0A(B BBBB 8A0A(B BBBd pBDB B(D0A8G. 8A0A(B BBBB [ 8A0A(B BBBK dtBDB B(D0A8G. 8A0A(B BBBB [ 8A0A(B BBBK d`BGB E(D0A8D 8A0A(B BBBK  8D0A(B BBBM dDBGB E(D0A8D 8A0A(B BBBK  8D0A(B BBBM dЫBDB B(D0A8G. 8A0A(B BBBB [ 8A0A(B BBBK dHBDB B(D0A8G. 8A0A(B BBBB [ 8A0A(B BBBK d|BDB B(D0A8G. 8A0A(B BBBB [ 8A0A(B BBBK d8BDB B(D0A8G. 8A0A(B BBBB [ 8A0A(B BBBK LPD b J _lD ` D ,pALB CA hCDeBEE E(H0H8M@l8A0A(B BBB@@pi @ dHAЍa؍ao@ @@ 5 aHX@@@ 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