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The definition of KfnQPdb
Posted: Fri May 07, 2010 11:19 am
by weic
When performing a GW-QP correction to the BSE calculation using the "-V qp" switch, I noticed the "KfnQPdb" keyword commented as the QP database. I assume this has something to do with the QP corrected eigenvalues, but it seems there is no explanation on this one. Does the database refer to a file with the QP energies stored from preceding GW calculations? Thanks.
Re: The definition of KfnQPdb
Posted: Fri May 07, 2010 11:55 am
by Daniele Varsano
Yes, it is as you argued.
If you want to read the energy from a previous calculated GW correction,
you have to use this syntax:
E < ./SAVE/ndb.QP
Cheers,
Daniele
Re: The definition of KfnQPdb
Posted: Fri May 07, 2010 2:33 pm
by weic
So I don't have to do with the scissor shift anymore if the ndb.QP is supplied, right?
Re: The definition of KfnQPdb
Posted: Fri May 07, 2010 2:35 pm
by Daniele Varsano
Right, if you have a QP database you don't need any scissor shift.
Daniele
Re: The definition of KfnQPdb
Posted: Fri May 07, 2010 2:38 pm
by weic
Thanks a lot for your explanation.
