yanming_ma at hotmail.com
Tue Apr 29 23:26:48 CEST 2003
> I have commented the line reading
>w2(nu), because I used output file dyn.qpoint to get
>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
If you comment out w2(nu),and read phonon frequency from file.dyn. then you
also need comment out the following line in the lambda.f
Yanming Ma PhD
Steacie Institute for Molecular Sciences,
National Research Councils of Canada.
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