[DFTB-Plus-User] Fermi Filling in Spin polarized simulations
simin pahlavi
simin.pahlavi at gmail.com
Tue Sep 1 16:42:00 CEST 2020
Dear DFTB+ Users,
Hello,
I am a little confused about using Fermi filling in spin polarized md
calculations.
Is it allowed to use Fermi filling in spin polarized (coleaner) md
calculations at temperature above zero K.
Thanks in advance
Simin
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