[QE-users] Problems with Fe ONCV pseudopotential part 2

Sasha Fonari qe at afonari.com
Wed Oct 14 22:50:03 CEST 2020


Hi All,

Following the original thread: https://lists.quantum-espresso.org/pipermail/users/2020-September/045902.html
I've confirmed that oncvpsp version 3.1.1, indeed creates a ghost state, I've created an issue here: https://github.com/oncvpsp/oncvpsp/issues/4

Hopefully someone replies there =)

Sasha Fonari -- Schrodinger, Inc.


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