[DFTB-Plus-User] Mass-weighted modes

Sisodiya Dilawar Singh p20200013 at goa.bits-pilani.ac.in
Tue Dec 24 11:47:57 CET 2024


Hello all,
I am trying to calculate modes using Hessian data.
The modes module ignores SKfiles but produces the output modes.xyz.
For the last three columns of modes, xyz is not mass-weighted. How do I get
mass-weighted data?
Can anyone help with this?
Thank you.

-- 
Sisodiya Dilawar Singh
Research Scholar
BITS Pilani K. K. Birla Goa Campus
ORCID ID: https://orcid.org/0000-0002-6027-7410
Personal Email ID: dilawars941 at gmail.com
GitHub Repository: https://github.com/Dilawars9

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