[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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