you sure you doing the right thing? Did you choose the correct pseudop? your compilation ran perfectly? The system were correctly relaxed? Can you send the pseudos and the input for checks?
Eugenio Furtado de Souza Laboratorio de Modelagem Molecular-LABMMOL Universidade Federal do Rio de Janeiro Av. Athos da Silveira Ramos No 149, CT, Bloco A, sala 609 tel: (21) 2562-7132 Cidade Universit?ria, Ilha do Fund?o, Rio de Janeiro-RJ, CEP 21941-90 ----- Mensagem original ----- De: "Emine Kucukbenli" <kucukben at sissa.it> Para: "pw forum" <pw_forum at pwscf.org> Enviadas: Ter?a-feira, 6 de Setembro de 2011 14:11:41 Assunto: Re: [Pw_forum] At line 174 of file paw_gipaw.f90 (unit = 14, file = '') Hi Daniel, are you sure you are using pseudopotentials that hold gipaw information? if so, send me the pseudo i'll check what is wrong. thanks emine kucukbenli, phd student, sissa, italy ---------------------------------------------------------------- SISSA Webmail https://webmail.sissa.it/ Powered by Horde http://www.horde.org/ _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum -- Eugenio Furtado de Souza Laboratorio de Modelagem Molecular-LABMMOL Universidade Federal do Rio de Janeiro Av. Athos da Silveira Ramos No 149, CT, Bloco A, sala 609 tel: (21) 2562-7132 Cidade Universit?ria, Ilha do Fund?o, Rio de Janeiro-RJ, CEP 21941-90 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110906/76c1483a/attachment.htm