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qsimulate-open / bagel

Brilliantly Advanced General Electronic-structure Library
GNU General Public License v3.0
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Frequency Visualization #197

Closed VishalKJ closed 4 years ago

VishalKJ commented 4 years ago

Dear developers,

Is it possible to have an output file (perhaps a molden file) that can be used to visualize the frequencies from a frequency calculation. It is quite insightful sometimes to be able to see the modes, even in cases of negative frequencies.

shiozaki commented 4 years ago

See the manual. https://nubakery.org/miscellaneous/molden.html