Replies: 1 comment 1 reply
-
smearing is a hypothesis that the electrons distribution on the bands, which is not relevant to the real temperature of your system. |
Beta Was this translation helpful? Give feedback.
1 reply
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
-
When smearing_method is fd, smearing_sigma is temperature as doc writes.
Supposing smearing_method = fd and smearing_sigma = 273, I wonder output energies are energies at that 273K ? And if I want to get Gibbs energy, just need add above energies and ZPE additionally?
Or it will extrapolate energies from 273K to 0K ?
Beta Was this translation helpful? Give feedback.
All reactions