i try the asr='simple', and the high frequency is almost the same with the situation not add asr. my system is quai-one-dimen , like nanotube ,why i can not add "one-dimen"
2008/10/23 Paolo Giannozzi <giannozz at democritos.it> > xu yuehua wrote: > > > yes, my system shoule have 3 translation and 1 rotational mode > > so i add ASR="one-dim. > > then try ASR='simple'. If they differ, and if your system is > along one of the cartesian axis, please provide the dynamical > matrix > > Paolo > -- > 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 > -- Xu Yuehua physics Department of Nanjing university China -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20081023/0b596914/attachment.htm
