eyvaz_isaev at yahoo.com
Wed Apr 30 11:54:47 CEST 2003
Sure, it was commented.
--- ma Yanming <yanming_ma at hotmail.com> wrote:
> Dear Eyvaz
> > I have commented the line reading
> >w2(nu), because I used output file dyn.qpoint to
> >frequences which are given in THz.
> >But according to your message w2(nu) is in Ry**2.
> >Is there new output file for them (i.e. which file
> >contains w2(nu) in Ry**2 units)?
> "w2(nu)" is not the same as "omega". In the
> file.dyn, the final output for
> phonon frequency is "omega" in THz unit. w2(nu) is a
> variable during the
> phonon code running. It is a square frequency in
> Ry**2 units. omega comes
> from w2(nu).
> If you comment out w2(nu),and read phonon frequency
> from file.dyn. then you
> also need comment out the following line in the
> Best Regards
> Yanming Ma PhD
> Steacie Institute for Molecular Sciences,
> National Research Councils of Canada.
> 100 Sussex
> K1A 0R6
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