[QE-users] Is it possible to self-define nuclear charge for a pseudopotential?

Christoph Wolf wolf.christoph at qns.science
Thu Oct 4 17:08:43 CEST 2018


Dear Jingyang,

If I remember correctly there is one example (B-doped diamond) in the EPW
folder that uses VCA- might help to look at this. There is also a routine
(virtual.x) but I have never used it.

HTH!
Chris
-- 
Postdoctoral Researcher
Center for Quantum Nanoscience, Institute for Basic Science
Ewha Womans University, Seoul, South Korea
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