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Reducen mass in frequency calculation

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Reducen mass in frequency calculation

Posted: Tue Apr 15, 2014 3:24 pm
by revillalopez
Hello everybody:
I am performing frequency calculations with VASP 5.2 to perform a normal mode analysis. I would like to know how I can obtain the reduced mass VASP is using for the calculation.
Thanks!

Reducen mass in frequency calculation

Posted: Wed Apr 23, 2014 12:12 pm
by alex
Please check NWRITE = 3, if it does the job.

Cheers,

alex
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