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