Thank you very much Prof. Giannozzi, I think I caught your idea.
-- GAO Zhe CMC Lab, Materials Science & Engineering Department, Seoul National University, South Korea At 2012-05-23 00:45:57,"Paolo Giannozzi" <giannozz at democritos.it> wrote: >On Tue, 2012-05-22 at 11:20 +0800, GAO Zhe wrote: > >> Now, in matdyn.x v5.0, if I did not set amass(i), the output frequency >> would be in some other unit. > >output frequencies are in the same units, but maybe the mass is not >what you expect, or what should have been. There have been some >changes in the internal units of mass. From Doc/release-notes: > * atomic masses in the code are in amu unless otherwise stated >This might have some unexpected consequences. > >P. > >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/20120523/52bad8d3/attachment.htm