[Pw_forum] OPIUM pp *.ncpp files error in pw.x to Prof. Paolo Giannozzi

[明文美]

> Date: Tue, 2 Sep 2008 10:55:27 +0200> From: giannozz at democritos.it> To: pw_forum at pwscf.org> Subject: Re: [Pw_forum] OPIUM pp *.ncpp files error in pw.x to Prof. Paolo Giannozzi> > 明文美 wrote:> > > thanks for you kind reply, actually I want to calculate > > electron-interaction in metallic ZrNi2Ga,> > but ultrasoft pseudopotential yields somewhat bad results> > any evidence that the "somewhat bad results" are due to the> pseudopotentials?
 
   Still some imaginary frequencies as I encountered before, which disappear after I switch to NCPP 
 
 
> -- > Paolo Giannozzi, Democritos and University of Udine, Italy> _______________________________________________> Pw_forum mailing list> Pw_forum at pwscf.org> http://www.democritos.it/mailman/listinfo/pw_forum
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