[Pw_forum] EPC

ma Yanming yanming_ma at hotmail.com
Tue Apr 29 23:26:48 CEST 2003


Dear Eyvaz


> 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 
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 lambda.f
omega=sqrt(w2(nu))*3289.828

Best Regards

Yanming Ma PhD
Steacie Institute for Molecular Sciences,
National Research Councils of Canada.
100 Sussex
K1A 0R6






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