[Pw_forum] pseudo-potentials of QE and inter-atomic potentials of LAMMPS
Zbigniew Kozioł
softquake at gmail.com
Mon Jan 22 10:58:02 CET 2018
Dears,
The question is, I suspect, very naive. I just started to explore QE.
LAMMPS I know already not bad.
Is it possible to derive inter-atomic potentials used in LAMMPS from
pseudo-potentials used in QE?
zb.
--
Zbigniew Kozioł, PhD,
National Center for Nuclear Research,
Materials Research Laboratory,
05-400 Otwock-Świerk, Poland
http://nanophysics.pl
mobile: +48 507 330 216
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