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 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
