[QE-users] VASP POTCAR into Quantum Espresso formats
Ilias Miroslav, doc. RNDr., PhD.
miroslav.ilias at umb.sk
Fri Sep 25 14:25:25 CEST 2020
Ad: https://lists.quantum-espresso.org/pipermail/users/2020-August/045552.html
Dear Paolo,
ok, rather that mimicking non-QR pseudopotentials, I would prefer newly generated for SHE, based on https://www.quantum-espresso.org/Doc/pseudo-gen.pdf .
SHE's needs both scalar and spinorbit relativity, so I would start from fully relativistic DFT calculations.
Do you have any other advice ?
Miro
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