ELF>@@AWAVIAUATUSHD%DŽ$E3L$0ALHDŽ$8DŽ$@wHDŽ$xDŽ$DŽ$0DŽ$4HHPLHH4HH5L$D9o=LHDŽ$8DŽ$@~HDŽ$DŽ$HDŽ$xDŽ$!DŽ$00DŽ$4LLLHDŽ$8DŽ$@DŽ$0DŽ$4H$ LL$ ;LHDŽ$8DŽ$@HDŽ$DŽ$HDŽ$xDŽ$3DŽ$00DŽ$4LLLHDŽ$8DŽ$@DŽ$0DŽ$4H$LH$LL=HGenerateH Hunknown IHd using I~PIFHunknown HIFHcode IvXIFIv`H IvhIvpIvxIIIIHunknown IF IF(IF0IF8IF@IFHIIIIIIIIIIH2.0.1 Hlly convA IHInfo: auIIHtomaticaHom CPMD IHerted frIH IHformat fEII I(I0I8AƆ H$ L$0$ f.fA@A AdžVno fEZ=IBHD$OHSL H AdžR IBIJAdž\AdžT Adž`Ad="=Lk=W0=HL$HLI 11fA(HfXffDHH9rLM9tHD$IBXADDL$E HHH<$HALcHIL,$I9J4LHHD$ 1HOƅɉT$(Z HHEHHD$IH $T$(IdžIdžIIdžIHL$ HcHIdžHD$(IIdžIdžMI~H$LD$LE1Lt$8L|$@HHD$0HD$HHD$ HD$JLE1@HMzHHH4$Ld$PL,IM9tH$pL$ptH$pDl$0Et!DT$0EN"Lc%E1EMIOHc1HIEH4HOHH9H=HT$HEHH2HcT$IcHHH HHL-HHHxBD$Pt6D$XHBt$KL-D$`HtD$hLA[AD$AHHD$fDEH$pHDŽ$xDŽ$DŽ$pE1$tLHHH$pH4кHcLhyI@IM9t ")("local L ( <= ",I1," ), Rc for local pot (au) > ")("Pade approx. not implemented! assuming Perdew-Zunger LDA")("Unknown DFT ixc=",i4,". Please provide a DFT name > ")("Assuming DFT: ",A," . Please check this is what you want")("Wavefunction # ",i1,": label (e.g. 4s), occupancy > ")SL(I1,A1)unexpected input argumentmygammazero beta function?!?cpmd2upf(a)Pseudopotential successfully converted('Radial grid r(i) has ',i4,' points')('Assuming log radial grid: r(i)=exp[(i-1)*amesh]*r(1), with:')('amesh = log (r(mesh)/r(1))/(mesh-1) = ',f10.6)('amesh = log (value read from file) = ',f10.6)unknown real-space grid('amesh = value read from file = ',f10.6)('grid point ',i4,': found ',f10.6,', expected ',f10.6)&ATOMNORMCONSERVINGNUMERICLOGARITHMICCARGOEDECKERunknown type: read_cpmd&INFO&END&POTENTIALincorrect parameter read&WAVEFUNCTIONat least one atomic wvfct should be present&NLCC only NUMERIC core-correction supported&ATDENSline ignored: some &FIELD card missingsome &END card missing("WARNING: ",i3," cards not read")("A radial grid must be provided. We use the following one:")("r_i = e^{xmin+(i-1)*dx}/Z, i=1,mesh, with parameters:")("Z=",f6.2,", xmin=",f6.2," dx=",f8.4," rmax=",f6.1)(I4," grid points, rmax=",f8.4)("Notice: atomic wfcs not found")error in reading fileusage: cpmd2upf "file-to-be-converted"oldformattedfile: not found.UPF('Output PP file in UPF format : ',a)unknown('Pseudopotential successfully written')('Please review the content of the PP_INFO fields')('*** Please TEST BEFORE USING !!! ***')DInteger overflow when calculating the amount of memory to allocateAllocation would exceed memory limitAttempting to allocate already allocated variable '%s'At line 152 of file cpmd2upf.f90At line 175 of file cpmd2upf.f90At line 186 of file cpmd2upf.f90At line 253 of file cpmd2upf.f90At line 262 of file cpmd2upf.f90At line 279 of file cpmd2upf.f90At line 318 of file cpmd2upf.f90At line 331 of file cpmd2upf.f90H2@;f??ư>@jﴑ[?-q=?h㈵>?Y@.V?8M8\8dR8R8aPL PL P* F* J* bPL cThM chiWxM hTM \1 ^M ixcE1 N1 I1 ncS1 nlSM YS N1 E1 rKM rcT* Z!N rlTL J* CK vnlVEN J* zG* zvG* 1 Z ^ ^*0 ^s ^ ^P ^< oc^` ^ ^*X ^1` ^1d ^*h ^p 0.**# #(#80.*s# #(#8#8#@#08#P#X#H80.*# #(#8#8#@#08#P#X#H80.*# #(#8#8#@#08#P#X#H80.*<# #(#8#8#@#08 0.*`# #(#8 0.*# #(#80.*# #(#8#8#@#08#P#X#H8 xZ{ ^1r^{r2^8rab^hsqr^rm1^ rm2^/ rm3^S( ^*X ^*` ^*h dx^*p 0.*# #(#8 0.*# #(#8 0.*# #(#8 0.* # #(#8 0.*/# #(#8 0.*S# #(#8 0.*w# #(#8 ZK ^K ^K P ^K ^K psd^M @ typ^O B rel^Q V ^S \ ^S ` ^S d ^S h dft^Z l zp^* ^* ^* ^* nv^\  ^1 ^1 vnl^^  ^1  ^1$ ^ ( ^1X lll^ ` ^  els^&  ^J  ^n 8 ^ h oc^  ^  ^  ^"( chi^FX ^} ^1 ^* ^* ^* dx^* r^ rab^( ^X ^1 ^* ^  ^1 ^S  nqf^1 ^1 ^*  ^h( qqq^X ^ ^ ^CH ^S  ^ ^ ^S X nn^ ` ^0 ^T ^x jjj^ ^1P ^S T paw^FX ^ ^S ^S ^1 ^1 ^ ^ ^P ^2 ^i ^ ^1( ^0 ^` ^ ^0 ^T ^x8 ^P 0.* # #(#8#8#@#08#P#X#H8 0.1 # #(#4 0.1 # #(#40.*& # #(#8#8#@#08 0.M J # #(#2 0.M n # #(#2 0.1 # #(#4 0.1 # #(#4 0.* # #(#8 0.* # #(#8 0.*"# #(#8 0.*F# #(#80.*}# #(#8#8#@#08 0.*# #(#8 0.*# #(#8 0.*# #(#8 0.* # #(#8 0.*1# #(#80.*h# #(#8#8#@#08 0.*# #(#80.*# #(#8#8#@#080.*# #(#8#8#@#080.*C# #(#8#8#@#08#P#X#H80.*# #(#8#8#@#08#P#X#H8#h#p#`80.*# #(#8#8#@#080.* # #(#8#8#@#08 0.10# #(#4 0.*T# #(#8 0.*x# #(#8 0.*# #(#8 0.*# #(#8 0.*# #(#8 0.*# #(#8 0.M 2# #(#20.*i# #(#8#8#@#08 0.*# #(#8 0.*# #(#8 0.M # #(#2 0.1# #(#40.*0# #(#8#8#@#08 0.*T# #(#8 0.*x# #(#80.*# #(#8#8#@#08 Z7j!]8upfZwauxeHfacf*il1{ijl1irl1ivl1{jl1jvl1ll1{iM zl1{l1{f*{j*H vllf*{xf*x2f*G@GzG08|N U  T  Q  R7 XIN Uz!N U!tP U QP!P U!N U!P! 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