MOS in Molden Format
Luca
luca.d... at gmail.com
Fri Jul 20 08:03:04 UTC 2018
Dear Developers
I would need to print the Molecular orbitals (MOS) in the molden format
(with cartesian GTOs).
I checked that the molden format for MOS is available just in the sections
MINBAS_ANALYSIS and XAS.
Could you please give me a few hints on how to modify cp2k for printing the
MOS in the molden format?
Best Regards
Luca
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