Dear all ,
I performed a scGW calculation(gwcalctyp=10), and in the final self-energy calculation step I tried :
(1)don't specify nkptgw, kgkpt, and bdgw
(2)specify on only a few k-points and a few bands
(3)specify on the whole IBZ and all the bands
but the final QPS files had more or less the same size.
So can any one how is the QPS file builded? Is it completed by KS eigenvalues at the k-points where GW correction is not performed ?
How is the QPS file strcutured in GW calculation?
Moderators: maryam.azizi, bruneval
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How is the QPS file strcutured in GW calculation?
Zeyu Jiang
PhD student
Department of Physics, Tsinghua University
Beijing, P. R. China
PhD student
Department of Physics, Tsinghua University
Beijing, P. R. China
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- Posts: 5
- Joined: Tue May 31, 2016 12:32 am