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bandstructure

Posted: Tue Oct 06, 2015 8:35 am
by samaneh
Dear Developers,
I run yambo -g n -p p and now I am interested
to do ypp -s b and also bse calculations
but is that possible to do first ypp -s b for the generated output of yambo -g n -p p
with removing time reversal symmetry
and then for the same file
do bse calculations using G0W0 database (E<SAVE/QP.db)??
I mean does the ypp change the SAVE file
which I can not use it again for bse calculations?
Best
S. Ataei, PhD student, University of Tehran

Re: bandstructure

Posted: Tue Oct 06, 2015 10:49 am
by Daniele Varsano
Dear Samaneh
ypp it is meant for post processing sobit does not change at all the databases. You can do the bse calculations and band interpolation in the order you prefer.
Best
Daniele

Re: bandstructure

Posted: Tue Oct 06, 2015 1:12 pm
by samaneh
Thank you Daniele.