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Questions tagged [phonon-density-of-state]

For questions about the calculation of phonon density of states (DoS) or the theories involved in them.

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20 votes
1 answer

What do negative phonon frequencies signify?

Negative frequencies "in general" mean the direction of displacement is reverse to that in positive frequencies. Does it mean two frequencies with opposite signs but the same magnitude give ...
Hitanshu Sachania's user avatar
6 votes
0 answers

Odd/even q-point mesh in harmonic phonon density of states (DoS) calculations [closed]

Total DoS for two different q-point grids, $100\times100\times100$ and $101\times101\times101$, are graphed above. The DoS for $63\times63\times63$, $65\times65\times65$, $71\times71\times71$, $72\...
Hitanshu Sachania's user avatar