How is the QPS file strcutured in GW calculation?

GW, Bethe-Salpeter …

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xueshanxihua
Posts: 3
Joined: Tue May 31, 2016 4:02 pm

How is the QPS file strcutured in GW calculation?

Post by xueshanxihua » Wed Jun 01, 2016 4:18 am

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 ?
Zeyu Jiang
PhD student
Department of Physics, Tsinghua University
Beijing, P. R. China

mostafaabd
Posts: 5
Joined: Tue May 31, 2016 12:32 am

Re: How is the QPS file strcutured in GW calculation?

Post by mostafaabd » Mon Jun 06, 2016 7:40 pm

think you

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