[QE-users] about making two core hole pseudopotentials
Ishiyama,Takahisa_石山 貴久
takahisa.ishiyama at jp.yazaki.com
Tue Oct 31 07:47:05 CET 2023
Dear all,
I’m trying to produce the pseudopotential with two core hole using ld1.x.
But error occurs and stops.
Input and output are attached.
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
task # 0
from compute_phius : error # 1
problems with find_qi
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
What is wrong in making the pseudopotential ?
Thank you,
Takahisa Ishiyama
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