[Pw_forum] thanks

2012-08-07 Thread Nyaruanda Calvince
av solved problem thru mike supoort. cheers wonderful people -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120807/f60b8179/attachment.htm

[Pw_forum] find out

2012-08-07 Thread Guido Fratesi
Hi! Your input namelist is not closed by a "/". Also notice that in espresso-5 the namelist would be called "" HTH Guido On 08/07/2012 02:59 PM, Nyaruanda Calvince wrote: > hi friendds! > am doing band calculation and my input is > > > prefix='Si_exc1', > filband='bands.dat' > lsym=.true. > --

[Pw_forum] non-existed variables

2012-08-07 Thread Ruibin Liu
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[Pw_forum] Why my generated pp doesn't contain the information of number of Q-function(nqf)?

2012-08-07 Thread Yue-Wen Fang
> > > ___ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- ---- Yue-Wen Fang -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120807/49035b1c/attachment.htm

[Pw_forum] Why my generated pp doesn't contain the information of number of Q-function(nqf)?

2012-08-07 Thread Stefano Baroni
/ stefanobaroni (skype) La morale est une logique de l'action comme la logique est une morale de la pens?e - Jean Piaget -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120807/57e11372/attachment-0001.htm

[Pw_forum] Why my generated pp doesn't contain the information of number of Q-function(nqf)?

2012-08-07 Thread Yue-Wen Fang
Thank you, sir, but it seems that you ignore some questions shown below in our emails. Have you seen these paragraphs before? Regards! three comments: > 1: it makes *very* little sense to create a virtual Ti-O pseudopotential > Dr. Axel, I want to create a virtual F-O pp in fact, Ti-O was

[Pw_forum] Why my generated pp doesn't contain the information of number of Q-function(nqf)?

2012-08-07 Thread Yue-Wen Fang
Dear Sir, I mean that can we create norm-conserving pp using ld1.x? > > Dear Dr. Axel, > > > >You said ld1.x cannot generate van-style ultrasoft pseudopotential, > but > > can ld1.x generate van-style norm-conserving pseudopotential? I think > ld1.x > > can't make it. > > i don't understand