help for plotting QP DOS
Posted: Tue Aug 17, 2010 1:07 pm
Dear All
i performed converged G0W0 calculation for silicon and went through plot of QP DOS by doing following step
1-run /bin/ypp - s s -V qp
I change GfnQPdb ="none" to GfnQPdb= "E < SAVE/db.QP"
2-run /bin/ypp
but obtained qp dos is very very small relative to dos obtained with pwscf.
Do I perform correctly? How can I get correct dos?
Thanks a lot
Ali Kazempour,Isfahan Univ of.Tech,Iran
i performed converged G0W0 calculation for silicon and went through plot of QP DOS by doing following step
1-run /bin/ypp - s s -V qp
I change GfnQPdb ="none" to GfnQPdb= "E < SAVE/db.QP"
2-run /bin/ypp
but obtained qp dos is very very small relative to dos obtained with pwscf.
Do I perform correctly? How can I get correct dos?
Thanks a lot
Ali Kazempour,Isfahan Univ of.Tech,Iran