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bse calculation

Posted: Sun Sep 14, 2014 4:03 pm
by samaneh
Hi there,
1- What is the meaning of the KfnQP_E parameter in bse input file?
I find it in the totorial that it is QP gap correction but I don't know
what does it mean (default value is zero)?
2- what is the meaning of damping range (BDmRange)
in the CPC yambo (2009) for Si it chages from the default ones
to 0.02000 | 0.8000 | eV
but I do not understand the meaning of these values???
Thanks
S. Ataei, University of Tehran

Re: bse calculation

Posted: Sun Sep 14, 2014 4:19 pm
by Daniele Varsano
Dear S.Atei,
please have a look to the documentation before asking to the forum:

1) It is documented in the web page. See here!!!!
When doing BSE calculations, you need to input QP energies. You can do it by calculating all QP energies in GW for all the bands entering in BSE, or using scissor operator (rigid shift of the conduction bands, plus stretching), if the approximation is reasonable.

2) There is a full description in the documentation. You can find it here here.

Best,
Daniele