[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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