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Dear Paolo:<BR>
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.<BR>
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Best Regards.<BR>
<BR><BR>Yun Song,Kang<BR>Department Physical Science and Technology of Inner Mongolia University.<BR> <BR>
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> From: giannozz@democritos.it<BR>> To: pw_forum@pwscf.org<BR>> Date: Wed, 16 Nov 2011 11:55:19 +0100<BR>> Subject: Re: [Pw_forum] QHA frequency is higher than *.freq<BR>> <BR>> Repeating an ill-formulated question is unlikely to attract answers<BR>> <BR>> -- <BR>> Paolo Giannozzi, IOM-Democritos and University of Udine, Italy<BR>> <BR>> <BR>> _______________________________________________<BR>> Pw_forum mailing list<BR>> Pw_forum@pwscf.org<BR>> http://www.democritos.it/mailman/listinfo/pw_forum<BR></DIV> </div></body>
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