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
bse calculation
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samaneh
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bse calculation
S. Ataei, PhD student at University of Tehran, Iran.
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Daniele Varsano
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Re: bse calculation
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
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
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/