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H f@]A HfDW@K H9 f@zA HfDG@h HV f@ HfW@ Hu=A 1H$E1HAH$pHDŽ$XDŽ$`DŽ$HDŽ$DŽ$DŽ$P$E1HAE1HAE1HAE1HAE1HAE1HAE1HAE1HAHA0AKHA0AE1HAE1HAE1HAE1HAHA0AHA0AHA0AHA0AHA0AHA0AHA0AHA0AHA0AHA0AHA0AE1HAE1HAAE1HH߉$THA H$1$j 1I)9M9M9M9M 9L9M9M9M t9M tm 9L t] 9L tM 9L t= 9Lt- 9Lt 9Lt 9Mf.1A& =DH$D$8AD$0HD$ AHD$HD$HD$(HD$H$1J1A3 =IGHD$hIopening input file ld1_readininputreading input namelist (f6.2)wrong nuclear charge zed: inconsistent Z/atom specificationwrong iswitcheminld or emaxld wrongnegative deldtoo many nldhydrogenic levels available only with iswitch=1hydrogenic levels available only with lsd=0isic and latter correction not allowedSIC available with all-electron onlyperturbative SO-splitting for AE calculations with rel=0 onlyspin-polarized perturbative corrections not availablewrong rellocal spin density and spin-orbit not allowedlsd not correctdefault&wrong xminwrong dxinputpreading inputpDEFAULTrcloc must be positivespecify correct pseudotypeGeneration of a FR PP with pseudotype=1 not allowedPSQPSQ requires pseudotype=3Two wavefunctions for the same lunbound states must be empty(/,5x,A)!!!!!!!!!!!!!!!!!!! WARNING !!!!!!!!!!!!!!!!!!!!!!!US requires at least two energies per channel (5x,A)!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!only one local channeltestreading testinconsistent rcutvnconf is wrongtoo many test configurationsWith frozen-core the first configuration must be spin-unpolarizedNo spin-polarization with iswitch==3lsdts must be 0 or 1Fully relativistic spin-polarized calculations not allowedTwo test wavefunctions for the same n lfound noninteger valence , if you want this specify zval in inputpsupplied () and calculated () valence charge do not matchfile_pseudo is needed.upf.UPF.rrkj3.RRKJ3 please start from a US for generating a PAW datasetLatter correction not implemented in PAWPAW dataset generation and test is experimental(5x,a)PAW data will be used for GIPAW calculationld1_readin.f90xmindxrmaxzedatombetatr2iswitchnldrlderiveminldemaxlddeldrpweconfiglsdrelrel_distdftisiclatttitleverbosityprefixlsmallrytoev_factcau_factvdwnoscffile_chargewrite_coulombmax_out_wfcrelpertpseudotypetmrho0zvalllocnlccnew_core_psrcorerclocauthorwhich_augfunlpawlnc2pawrmatch_augfunrmatch_augfun_ncfile_pseudopwfile_screenfile_corefile_betafile_chifile_qvanfile_potscffile_wfcaegenfile_wfcncgenfile_wfcusgenfile_reconlsave_wfclgipaw_reconstructionuse_paw_as_gipawnconfconfigtsfile_pseudofrozen_corelsdtsecutminecutmaxdecutrmrcutv ?Mb?Y@?+=@@Q?1@6+@6s&!a@Y@3@@>@h㈵>:0yE>N1M5m9v999999986DUwDUwDUw/EUw/E(UwD@Uw/EXUw/EUw  9 9 9 9 9 9 9 9   . . . rm.   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