[DFTB-Plus-User] Restarting Second Derivatives
Amritpal ghumman
amritpalghumman at gmail.com
Mon Feb 6 17:53:01 CET 2023
Hi
Is it possible to restart second derivative calculations?
Could you please also share some sample input file for the calculation
second derivatives, and modes in which some of the atoms are fixed and
other are free?
With Best Regards
Amritpal Singh
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