Dear Paolo: Hi, if it is any question I cannot state clearly I am sorry for this. The main problem is the frequency of matdyn.x (asr=crystal)which the k-point is from tetra.x is very higher the matdyn.x(asr=simple) which the k-point is get it from xcrysden.And I calculate other structure is not met this problem.So it really bewilder me. Best Regards.
Yun Song,Kang Department Physical Science and Technology of Inner Mongolia University. > From: giannozz at democritos.it > To: pw_forum at pwscf.org > Date: Wed, 16 Nov 2011 11:55:19 +0100 > Subject: Re: [Pw_forum] QHA frequency is higher than *.freq > > Repeating an ill-formulated question is unlikely to attract answers > > -- > Paolo Giannozzi, IOM-Democritos and University of Udine, Italy > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20111117/2334d382/attachment.htm