[QE-users] Reg: need of Antimony (Sb) Ultrasoft Pseudopotentials
hanumak24 at gmail.com
Wed May 16 09:54:33 CEST 2018
Dear Quantum Espresso users,
I have calculated band structure of Sb (Antimony) based intermetallics, and
I have calculated band structure of the alloys using NORMCONS
Pseudopotentials. The density of states and band structure is matches with
the reported results, but their magnetic moments are not matching. In order
to get good results, I am interested to do with Ultrasoft pseudopotentials.
These type of pseudopotentials is not available for Sb (Antimonty, Atomic
number 51) and I don't know how to generate pseudopotentials. If possible,
can anyone please send me the USPP files for Sb.
Thanks and regards
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