[Pw_forum] At line 174 of file paw_gipaw.f90 (unit = 14, file = '')
Eugenio Furtado
eugeniofs at iq.ufrj.br
Tue Sep 6 19:19:01 CEST 2011
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 Universitária, Ilha do Fundão, 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: Terça-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
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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 Universitária, Ilha do Fundão, Rio de Janeiro-RJ, CEP 21941-90
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