[DFTB-Plus-User] atomic spin constants in spin polarized calculations
Leonardo Villegas
lvillegas.sk at gmail.com
Tue Dec 22 18:39:25 CET 2020
Dear Dr. Aradi
I am trying to perform both spin polarized electronic structure and
transport calculations within the DFTB+20.2 version, however I did not
find the Boron spin constants Wss, Wsp, Wpp,.. anywhere. I wonder how I
can proceed. Thanks in advance,
--
*Leonardo Villegas*
*Visiting Professor*
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