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Top Questions
18
votes
Logic of published geometry optimization results without checking phonons
density-functional-theory
phonons
vibrations
geometry
geometry-optimization
asked Aug 15, 2020 at 21:14
mattermodeling.stackexchange.com
14
votes
Can I use two different codes?
density-functional-theory
software
geometry-optimization
asked Sep 2, 2020 at 18:03
mattermodeling.stackexchange.com
13
votes
Monkhorst-Pack, Gamma-centred and gamma only
density-functional-theory
k-points
asked Sep 10, 2020 at 15:02
mattermodeling.stackexchange.com
13
votes
What is a "Charge Density Wave" and how is it related to the imaginary frequencies on phonon dispersion bandstructures?
density-functional-theory
phonons
asked Aug 14, 2020 at 21:31
mattermodeling.stackexchange.com
Top Answers
No answers with score of 5 or more
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