<html><head><style type='text/css'>p { margin: 0; }</style></head><body><div style='font-family: Times New Roman; font-size: 12pt; color: #000000'>you sure you doing the right thing? Did you choose the correct pseudop? your compilation ran perfectly? The system were correctly relaxed? <br>Can you send the pseudos and the input for checks?<br><br><span>Eugenio Furtado de Souza<br>Laboratorio de Modelagem Molecular-LABMMOL<br>Universidade Federal do Rio de Janeiro<br>Av. Athos da Silveira Ramos No 149, CT, Bloco A, sala 609<br>tel: (21) 2562-7132<br>Cidade Universitária, Ilha do Fundão, Rio de Janeiro-RJ, CEP 21941-90</span><br>----- Mensagem original -----<br>De: "Emine Kucukbenli" <kucukben@sissa.it><br>Para: "pw forum" <pw_forum@pwscf.org><br>Enviadas: Terça-feira, 6 de Setembro de 2011 14:11:41<br>Assunto: Re: [Pw_forum] At line 174 of file paw_gipaw.f90 (unit = 14, file = '')<br><br><br>Hi Daniel,<br>are you sure you are using pseudopotentials that hold gipaw information?<br>if so, send me the pseudo i'll check what is wrong.<br>thanks<br>emine kucukbenli, phd student, sissa, italy<br><br><br>----------------------------------------------------------------<br> SISSA Webmail https://webmail.sissa.it/<br> Powered by Horde http://www.horde.org/<br><br><br>_______________________________________________<br>Pw_forum mailing list<br>Pw_forum@pwscf.org<br>http://www.democritos.it/mailman/listinfo/pw_forum<br><span id="ab5efba9-6f84-4f27-bf02-f64104527c93"><br><br>-- <br>Eugenio Furtado de Souza<br>Laboratorio de Modelagem Molecular-LABMMOL<br>Universidade Federal do Rio de Janeiro<br>Av. Athos da Silveira Ramos No 149, CT, Bloco A, sala 609<br>tel: (21) 2562-7132<br>Cidade Universitária, Ilha do Fundão, Rio de Janeiro-RJ, CEP 21941-90<br></span></div></body></html>