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
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revillalopez
Reducen mass in frequency calculation
Last edited by revillalopez on Tue Apr 15, 2014 3:24 pm, edited 1 time in total.
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alex
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Reducen mass in frequency calculation
Please check NWRITE = 3, if it does the job.
Cheers,
alex
Cheers,
alex
Last edited by alex on Wed Apr 23, 2014 12:12 pm, edited 1 time in total.