Page 1 of 1

Perform the BSE calculation by using the GW band structure

Posted: Wed Aug 26, 2020 2:31 pm
by shan dong
Dear all,

I have performed the BSE calculation by using the GW band structure(set KfnQPdb).In this case, can I use different K points for BSE and GW calculation ?
Waiting for your replay. Thank you.

Re: Perform the BSE calculation by using the GW band structure

Posted: Wed Aug 26, 2020 9:00 pm
by myrta gruning
Yes. Check:
http://www.yambo-code.org/wiki/index.ph ... n_eh-space
KfnQPdb (Units: None, Format: String) Verbosity: -V qp

Meaning: Database for QP corrections.
Usage: From a previous GW calculation. An interpolation of the missing QP-values on the basis of the QP-database is available See also: KfnQP_E
Format: "<what> < <path>/ndb.QP" with <what> = E,W,Z for QP energy correction, QP width and renormalization factor. For example, from a previous GW calculation use KfnQPdb= "E < ./SAVE/ndb.QP"
Missing values will be calculated by interpolation