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u6D$@D$0(f.D$03XAATA7PA-ffff.AWAVMIAUMAATIUSHHFHt IIIHF(LIH+F HwHHXt IHIH$HHo(L A<$6t$Au9tE9tw9Hl$H\$ 1HHL$ HĘ[]A\A]A^A_f;2uH~ILH1f.>HLƉ9HH9uH|$`H$LD$xLT$`LL$hHl$HD$p HDŽ$I1HHIH\$ Ht$@D$@I1H$MLẔALL9l$`tH|$`LcMtLt$ \ApL)H|$`HL$`HL\$hHD$p H$HDŽ$H\$ HD$xL|$@9I1HHIHl$Ht$0D$0H\$1L<$IML麔ALL9d$`tH|$`LMtL]T$ u7HT$`1HپALD$ %dA蘠hA莠`A脠@ATIILUSHPE HD$pD$AD9t?MA9tM9Hl$H\$ 1HHD$ HP[]A\Ð;uϋP @Hl$H\$ b1LٺAH$IL t$ tlA负@Hl$H\$ Ld$01AbH\$L$$Iϼ jL$ u7HT$,1HپAL;T$ tAExA;pA1AWAVAUATU͹SHhHGHt$8HHT$@HDHD$HG(H+G HHH1ȅD$ L$PIͅIHcH<$Hc#  HHHHHEHI) D$  H$LcHfE1f1H1MHD$ HD$IHD$LDHAHHڃ9GՃLHADDn DDAD@J DDAD@& DDAD@  DDAD@ DDAD@ DDAD@ DDAD@r DDA D@ N T A P$, LHA DD D@( DD A D@,DD A D@0DD AD@4DDAD@8TP<D9AEE)EAEAEO,MDHD$0IOLl$(E1HD$(AHD$(I@ofofhf`fofofofafafififApfAPfAxfAHE9rDE9HD$0MDRLcLN McI9GGDJIMcD9GN,GDZIMcD9GN, GDRoIMcD9G N,G DJOIMcD9GN,GDZ/IMcD9GN, GDRIMcD9G N,G DJIMcD9GN,GDZIMcD9GN, GDR IMcGID9DJ GMEiMcLNMcID9GlG,DR teIMcD9GN, GDZ tIIMcD9G N,G DJ t-IMcكGN,D9GtIHcGHEHt$HD$ H $L|$;|$ HT$8HL$@Ht$PL1-HLE111Lt$(DHAHHڃ9GՃOL|$(DLHADDPADTDPADTDP ADTqDPADTDPADTDPADTDPADTDP A DTDP$A DT _LDP(HA DT 5DP,A DT DP0A DT oDP4ADT LDP8ADTYDP@Ht$ 1HHH苣t$ /AMPAAHt$D$AIA A)AFHi5 L5 fI5 M9tTLL$ Ht$A1IHLդT$ tHT$ 1A AAI5 eIM9uAM )iҠ)хɉL$~IEiHD$LL$ Ht$IHAAMcJ|1ED$ fH8[]A\A]A^A_ÐHT$ 1AAAHAMH|$LL$ H1IغALУL$ tHT$ A AA1gHrfHT$ A AA1?HH8[]A\A]A^A_AWAVAUIATUSH8H|$>@Ht$ 1HHHkt$ /AMPAAHt$D$AIA A)AFHiLfIǀM9tTLL$ Ht$(A1IHL赢T$ tHT$ 1AA,AIǀEGM9uAM )iҠ)хɉL$~IEiHD$LL$ Ht$IH(AAMcJ|1%D$ fH8[]A\A]A^A_ÐHT$ 1AAAFAMH|$LL$ H1Iغ(AL谡L$ tHT$ AA,A1GFrfHT$ AA,A1FH8[]A\A]A^A_AWAVAUIATUSH8H|$>@Ht$ 1HHHKt$ /AMPAAHt$D$AIA A)AFHiLfIǀM9tTLL$ Ht$D3EyfL IǀgM9uHD$D$$Di`yD~i3L$`SDiHD$(HT$`(AHl$L$$IAA AMcIJ<1(L$0|xF;D$@t@Hx[]A\A]A^A_ÐHT$`AAA1=&f.HD$D(E~HD$(Icվ HJH|$HD$AD$ Hd$@D$\$q$uHİ[1AA A7AHİ1[ÐUSHqH\$Ź H $H߅HjJAH޿st}MAH޿stbQAH޿stG$B9Չ$111AHHsHAH޿sh$H$11AHރ$1sH$HDŽ$ADŽ$ .HDŽ$0pH$@DŽ$<HDŽ$HWADŽ$PHDŽ$`ZADŽ$h DŽ$ DŽ$^o(H$HDŽ$ADŽ$ 5HDŽ$XhADŽ$`'DŽ$DŽ$_qH޿o1H$IHnH$nH[]@H[]fff.ATUSHHKoHt$ AĉD$111AA rEAVH$ HDŽ$(ADŽ$0_HDŽ$hADŽ$pDŽ$ DŽ$$epHt$ nHt$ H$ 1҅ImHt$H$ pH$ mH[]A\DHމmH$ HDŽ$(ADŽ$0THDŽ$xADŽ$tHDŽ$hADŽ$pDŽ$ 0DŽ$$oH$ 1mH$ HDŽ$(ADŽ$0UHDŽ$hADŽ$pDŽ$  DŽ$$oH$ HnH$ m$ H$ HDŽ$(ADŽ$0bHDŽ$hADŽ$pE1DŽ$ DŽ$$nHt$ XlHt$ H$ AHĉkHމ4lH$ DIHkH$ kH[]A\H$ HDŽ$(ADŽ$0WH$$H$HDŽ$ @DŽ$$l$uH$ HDŽ$(ADŽ$0YHDŽ$hADŽ$pDŽ$ DŽ$$mHމMkH$ 1҅IHjH$ kn@AH11ҿA1nH[]A\f.@AWIHAVAUATIUSHjLÉj)x`1AID$ E1@AID;t$ t1LLAHmuH[]A\A]A^A_H1[]A\A]A^A_ffffff.UHAWI1AVAUATLcSH8IHcAEHAHH)EAIHLcuIFHH)EItLcL9HHH_mMtM9_LLLAmUtPEALeIA)ރHDHELLCT>MIL;}Hc҈ uҋEtSEALeME)IDHE@LLCT>MIL;}HcALuЋ}Hh}ALhD)xjE1EMEIAEAAID;mt:DLHDHkuHeظ[A\A]A^A_]fDHe1[A\A]A^A_]LLLkLK|% L) hLHHHMLEkLEHM L)J<Hg*fUHcHSHHg9tDAMcB<!utHHcH9r H[]DHH< H[]H)ʾ Ngf.@?fWYGY~b1%SHHf(XDLYDYLHH9YYYXXufDfDAUIATIUHSHHHcLxYEpPYLHcTHcHcYTXKYMYXTYTY XKYMXTYTY XKYMXY XA$~3 H1L YL HH9XuA$H[]A\A]fD1A AA#A'AEfffff.?AgfffIfWA9>)BH~IfD(Hf(5HD HH-fD(f1fA( f(f(\^^YAYXA X\YAX f(f(\YXXADYXDHH=@uH@I@H9tf(fD(f(NAWAAVIAUIATL%hH UH-hH SL)1HHucHtLLDAHH9uH[]A\A]A^A_ff.HHoldcp2upf.f90elsocepseulchinnsrcutrcutuselswocwlchiwrabvloc0ikk2lllbetarqfuncdionqqqrho_atr_chi_vnl("Generated using unknown code")("Author: unknown Generation date: as well")NO("Wavefunction # ",i1,": label, occupancy > ")Wrong xc in pseudopotentialconvert(a)Pseudopotential successfully convertedwrong potential readread_oldcperror in reading fileoldformatted.UPF("Output PP file in UPF format : ",a)unknownDInteger overflow when calculating the amount of memory to allocateAttempting to allocate already allocated variable '%s'At line 131 of file oldcp2upf.f90Allocation would exceed memory limitAt line 132 of file oldcp2upf.f90At line 133 of file oldcp2upf.f90At line 154 of file oldcp2upf.f90At line 177 of file oldcp2upf.f90At line 178 of file oldcp2upf.f90At line 185 of file oldcp2upf.f90At line 191 of file oldcp2upf.f90At line 201 of file oldcp2upf.f90At line 202 of file oldcp2upf.f90At line 203 of file oldcp2upf.f90At line 204 of file oldcp2upf.f90At line 227 of file oldcp2upf.f90At line 233 of file oldcp2upf.f90At line 73 of file oldcp2upf.f90At line 74 of file oldcp2upf.f90At line 84 of file oldcp2upf.f902@$@?Y@9@write_upf.f90(//a12)(1p4e19.11)(a13)("write_pseudo_rhoatom: error writing pseudopotential file")(//a10)(a2,i5,f6.2,t24,a)Wavefunction(a11)("write_pseudo_pswfc: error writing pseudopotential file")(//a13)(t3,a9)(2i5,t24,a)Beta L(i6)(t3,a10)(t3,a8)(1p,i5,t24,a)Number of nonzero Dij(1p,2i5,e19.11)US(i5,a) nqf. If not zero, Qij's inside rinner are computed using qfcoef's(t5,a11)(i5,1pe19.11)(t5,a12)(3i5,t24,a)i j (l(j))(1pe19.11,t24,a)Q_int(a14)("write_pseudo_nl: error writing pseudopotential file")("write_pseudo_local: error writing pseudopotential file")(//a9)(a10)("write_pseudo_nlcc: error writing pseudopotential file")(t3,a6)(t3,a7)("write_pseudo_mesh: error writing pseudopotential file")(4a5)(//a11)(t3,i2,t24,a)Version Number(t3,a,t24,a)ElementNC(a5,t24,a)Norm - Conserving pseudopotentialUltrasoft pseudopotential("write_pseudo_header: unknown PP type ",A)(l5,t24,a)Nonlinear Core Correction(a,t24,a4,a) Exchange-Correlation functional(f17.11,t24,a)Z valenceTotal energy(2f11.5,t24,a)Suggested cutoff for wfc and rho(i5,t24,a)Max angular momentum componentNumber of points in meshNumber of Wavefunctions, Number of Projectors(a,t24,a2,a3,a6) Wavefunctionsnllocc(a12)(t24,a2,i3,f6.2)("write_pseudo_header: error writing pseudopotential file")(a9)(a)(i5,t14,a)The Pseudo was generated with a Full-Relativistic CalculationThe Pseudo was generated with a Scalar-Relativistic CalculationThe Pseudo was generated with a Non-Relativistic CalculationLocal Potential cutoff radius(a2,2a3,a6,3a19) pnRcutRcut USE pseu(a2,2i3,f6.2,3f19.11)("write_pseudo_comment: error writing pseudopotential file")("*** PLEASE TEST BEFORE USING!!! ***")("review the content of the PP_INFO fields")-q=read_upf.f90No blockscan_begin(a)W[/@St$2@Y.4@ڏa6@GzN8@A4F:@S<@('UH>@ r@@sA@MbXC@1*C@Dl D@EB[zF@"G@nxI@m4I@xK@\(K@HPswM@TXM@SO@)\XP@ʡEnQ@ףp= 'R@~R@= ףpS@`"S@33333T@gDio]U@HzU@9EGr9V@uVV@oB!:W@\(W@X@GzDY@ˡEY@{GZ@ȘZ@M\@1Z\@= ףp]@q= ףp^@fffff_@#_@zGi`@9EGr`@X9v*a@"\a@ʡEa@Fx a@Hzb@ b@Qb@+b@c@ȵbc@Pd@r.ŝd@Qd@^ e@zGe@me@HzOf@|a2Uf@{Gf@vFg@(\g@mh@"~bh@]Ch@{Gi@ё\Ci@fffffi@E_j@ j@@j@k@k@@l@`l@H}8m@R%l@W[m@m@n@`n@n@n@`o@o@p@ p@0p@`p@Pp@`p@p@p@Pq@p@abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ?:@@w>ږb=?n ?:JxT?e(Jh?)o?-F?s|?R)l?mBP ?Gz?ܽZ^W ?ͨ'@ÔE@`9c@@`"5u@q>|@^"Yr@)@t@S@N]Yq@j@gX/@~@+i"Yr@@+:t;K@)Ͱ5@pʥ_Un@Tusd*.@eύV@zOj@@;f??find_free_unit.f90free unit not found ?!?find_free_unit()-i-in-inp-inputOLDFORMATTED(" *** input file ",A," not found ***")NO(5x,"Input file > ")(a)(A,": reading file name ",A)(A,": file not found")(A,": too many arguments ",i4)inpfile.f90few mesh pointssimpson_cp90UUUUUU?*@?UUUUUU?(@ @@;G@ LH=L0Mhr@} `@0hPX P( `x @ @ p @  Ph @ P ` ` ( @P ph P 0 8(x P  @@ X@  Hp(Ph(x0#@p& '0 :pp? DH`IPIIL0P`pS@VZP]``a(@fxhm0phq@tu(x 0Hp8 (0xКМH`П 0 H h P 0 `!(!@!X!P!P!@"("""`##0$@$%h%%8&`&&`&'@0'H'`' x'`''p''@((`(`()`P))p)))`@*zRx %G*zRx $xB`FJ w?;*3$"dDG$BBB B(A0A8G 8A0A(B BBBE p 8A0A(B BBBA L8l$ BBB B(A0D8G  8A0A(B BBBI $wBHA I$ED4<yBDA G  AABA Dtp{'BBE A(A0G 0A(A BBBA LX~zBBE B(A0A8G[8A0A(B BBB4 BDA G  AABA 4DPBDA G  AABA 4|BAD G)  AABA <p+BED D(J (A ABBH <`% BBA D(G (A ABBK 44PSBDA G~  AABH $lxAJAd0BEB E(A0A8GB 8D0A(B BBBJ G 8A0A(B BBBG d.BBB B(A0D8I5 8D0A(B BBBH 8A0A(B BBBLd`.BED A(G (D ABBH G (A ABBK L@.BED A(G (D ABBH G (A ABBK L BED A(G (D ABBH G(A ABBDTBAA J  DABG  AABLx'BBE B(D0A8G  8A0A(B BBBA \(DBBE A(D0GR 0A(A BBBA w 0A(A BBBA L dHQ,|BID J ABD <`BID G ABG Y ABA LtBBB B(A0A8JM 8A0A(B BBBA 4DRDD J AAB|AGy$APD`AAH%D `$`APD`AA,%D `$DAPD`AAl%D `$APD`AA(%D `L@BGB B(A0A8N8A0A(B BBBL lBGB B(A0A8ND8A0A(B BBBLd nBGB B(A0A8NF8A0A(B BBBL BHB B(A0A8N8A0A(B BBBL BBH B(A0A8Nm8A0A(B BBBLT lBBI B(A0A8GI8A0A(B BBBL @9BIB B(A0F8D8A0A(B BBB$ 0APD`AA %D `L4 BHB B(A0A8N8A0A(B BBBL BBH B(A0A8Nk8A0A(B BBBL 7BIB B(A0F8D8A0A(B BBB$$ APD`AAL X%D `Ld pBBH B(A0A8Nk8A0A(B BBBL 7BIB B(A0F8D8A0A(B BBB$ APD`AA, 8%D `D PAJLd vBIB B(D0F8G 8A0A(B BBBF L vBIB B(D0F8G 8A0A(B BBBF LPvBIB B(D0F8G 8A0A(B BBBF DT BBB G(D0Ni 0A(A BBBH , ADJ AAA L @BHB B(A0H8G 8A0A(B BBBA L@BHB B(A0H8G 8A0A(B BBBA <lBGA A(D0 (A ABBA LH BGB B(A0A8G@ 8D0A(B BBBM L BGB B(A0A8G@ 8D0A(B BBBM LLH%BBB B(A0A8L 8A0A(B BBBD L)BBB B(A0A8L 8A0A(B BBBD L.BBB B(A0A8L 8A0A(B BBBD <h2<D0m A \2<D0m A |2$D U A L2FBHB B(A0A8G 8A0A(B BBBG L5QBBH B(A0A8G 8A0A(B BBBH L<81BBH B(A0A8G} 8A0A(B BBBB L;BBB L(J0A8G 8A0A(B BBBD L8>BIB K(A0A8G 8A0A(B BBBK L,BBBB L(J0A8G 8A0A(B BBBD L|DBBB L(J0A8G 8A0A(B BBBH 4hG-BGA DpK  AABC L`HBIE J(A0A8G 8A0A(B BBBH LTLBBL K(D0A8G 8A0A(B BBBG L OBIE J(A0A8G 8A0A(B BBBH L`SBBL K(D0A8G 8A0A(B BBBC 4DUcBJA DZ  AABA L|VBBL K(D0A8G 8A0A(B BBBC 4HYOBJA DpY  AABB L`Z BBB B(A0H8Dn 8D0A(B BBBH 4Tf`BDD D@  DABE L(n:BIB B(A0F8D8A0A(B BBB,oBPD D` AAB o D [L$oBBB B(A0A8Nh8A0A(B BBBLtqBGB B(A0A8N8A0A(B BBBLsBJB B(A0A8N8A0A(B BBBL0uPBIB B(A0F8G(8A0A(B BBB4d0vBQD A(Dp(A ABBv D [LvsBHB B(A0A8NJ8A0A(B BBBLxBBB B(A0A8N8A0A(B BBBLTzBHB B(A0A8Nq8A0A(B BBBL|:BIB B(A0F8D8A0A(B BBB,|BPD D` AAB$} D [L<}BHB B(A0A8Nq8A0A(B BBBL~:BIB B(A0F8D8A0A(B BBB,BPD D` AAB X(D0c$p0D a A D+D \ A d/D ` A <BEI K(Dp (A ABBA @+D \ A P+D \ A `'D0bxD Y,4eAFG0@ AAA LdBRB B(A0A8G 8A0A(B BBBA 4pBKI D  AABA (9D tdP BBB E(A0A8DpS 8A0A(B BBBB 8A0A(B BBBdl BBB E(A0A8DpS 8A0A(B BBBB 8A0A(B BBBd BBB E(A0A8DpS 8A0A(B BBBB 8A0A(B BBBd<xBDB B(D0A8G. 8A0A(B BBBB [ 8A0A(B BBBK dBDB B(D0A8G. 8A0A(B BBBB [ 8A0A(B BBBK d hBGB E(D0A8D 8A0A(B BBBK  8D0A(B BBBM dtBGB E(D0A8D 8A0A(B BBBK  8D0A(B BBBM dؖBDB B(D0A8G. 8A0A(B BBBB [ 8A0A(B BBBK dD PBDB B(D0A8G. 8A0A(B BBBB [ 8A0A(B BBBK d ȝBDB B(D0A8G. 8A0A(B BBBB [ 8A0A(B BBBK d!@BDB B(D0A8G. 8A0A(B BBBB [ 8A0A(B BBBK |!PD b J _!D ` D 4!xuBFA L  CABF !Qe k "Y]0{$"P3<"x3T">$l"ȧ<D@ G Z N "U$"DD@) C j F ,"ALB CA hC4#DAAG  AAE QAAT<#(BAC J  AABF   AABD  AAB\#BHB B(F0C8DPb 8F0A(B BBBD D8C0A(B BBB4#GAC BMH G P H 4,$rAGI  AAF DHAd$P<|$ȷBBED D(G0 (A ABBG $ظ)D$eBEE E(H0H8M@l8A0A(B BBB%p@P@p @ ԵAaao@ @@ X bx@x@ o@ooH@aF@V@f@v@@@@@@@@@@@&@6@F@V@f@v@@@@@@@@@@@&@6@F@V@f@v@@@@@@@@@@@&@6@F@V@f@v@@@@@@@@@@@&@6@F@V@f@v@@NOGCP86 GGC BLYPPBC HCTHTPSSB3LPPSC PBE METAM6LCQ2DCNOGXB88 GGX PBX RPB HCTHOPTXTPSSPB0XB3LPPSX WCX HSE RW86PBE METAC09XSOX M6LXQ2DXNOX SLA SL1 RXC OEP HF PB0XB3LPKZK NOC PZ VWN LYP PW WIG HL OBZ OBW GL B3LPKZK   HHeLiBe B C N O FNeNaMgAlSi P SClAr KCaScTi VCrMnFeCoNiCuZnGaGeAsSeBrKrRbSr YZrNbMoTcRuRhPdAgCdInSnSbTe IXeCsBaLaCePrNdPmSmEuGdTbDyHoErTmYbLuHfTa WReOsIrPtAuHgTlPbBiPoAtRnFrRaAcThPa UNpPuAmCmBkCfEsFmMdNoLrRfDbSgBhHsMt HHeLiBe B C N O FNeNaMgAlSi P SClAr KCaScTi VCrMnFeCoNiCuZnGaGeAsSeBrKrRbSr YZrNbMoTcRuRhPdAgCdInSnSbTe IXeCsBaLaCePrNdPmSmEuGdTbDyHoErTmYbLuHfTa WReOsIrPtAuHgTlPbBiPoAtRnFrRaAcThPa UNpPuAmCmBkCfEsFmMdNoLrRfDbSgBhHsMtGCC: (Ubuntu 4.8.5-2ubuntu1~14.04.1) 4.8.5GCC: (Ubuntu 4.8.4-2ubuntu1~14.04.3) 4.8.4<@2@,|Q@6,T`@A5,y@ o,[@,kwA%,MМA,̩НA9,A,РAT,0A,A,JЮAr,&PA xN3j@$7 n7 m< p $@auxqiv{irvivv# u{lvvllr { A@&3  A@ U A T A Q A R7 XK%@ L U{2@e U{@ ~ U{@ U{ @4!@!@ U |s|0.(3"@"@ Us?#@#@ Us$@ 7 U{$@\ U{ T{ Q4$@u U{$@) U{%@8 U{ Q2C%@Q U{ Q8P%@j U{%@y&@ U{ T2 Q{7&@y&@M'@'@_ U }|}0.()@)@ U vsv0.(*@ T zz#3$3+@+@ U~ T vs#3$,@.@/@0@G1@`2@U3@ U>zz3$zs $0+(1zz3$zs $0+(0.( 4@ UD{{3$z{ $0+(1{{3$z{ $0+(0.(5@ T0 Q|n5@ T0 Qs5@7 T0 Qs8@_ U{ Tz R{1:@:@ Us T0 Qv3$<@H>@ T3$3?@  U{J?@ U{ T A Q&W?@ U{~?@20 Uz:A@O U vs#3$yA@G U A T (A Q -AA@G U xA T (A Q 'AA@G U A T (A Q 2AA@G3 U ȹA T (A Q 6AA@\R U AB@G U @A T (A Q GAB@G U A T (A Q BA/B@G U A T (A Q A Q A R: XD uE@!  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