yes, my system shoule have 3 translation and 1 rotational mode so i add ASR="one-dim.
2008/10/23 Paolo Giannozzi <giannozz at democritos.it> > xu yuehua wrote: > > > in order to get better result, i add the asr, and of course, the above > > 4 modes change to be 0cm-1, but another mode at high frequency,changes > > from 3002 to 2880cm-1 > > simple ASR should set to zero only the three translation modes, not > 4 modes. Are you by any chance using ASR="one-dim" ? did you read this? > > ! - 'one-dim': 3 translational asr + 1 rotational asr > ! imposed by optimized correction of the dyn. mat. (the > ! rotation axis is the direction of periodicity; it > ! will work only if this axis considered is one of > ! the cartesian axis). > > P. > -- > 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/f6b89e36/attachment-0001.htm
