Documentation GW

Run-time issues concerning Yambo that are not covered in the above forums.

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DmitrySkachkov
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Documentation GW

Post by DmitrySkachkov » Sun Jun 12, 2022 4:50 am

Hello,

May I have a link to documentation of Yambo GW please? The old link is not working:
Daniele Varsano wrote: Mon Jun 13, 2011 5:25 pm
...the n1 index in the documentation...

Hope it helps,

Cheers,

Daniele
Dmitry Skachkov
University of Central Florida
https://github.com/Dmitry-Skachkov

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Daniele Varsano
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Re: Documentation GW

Post by Daniele Varsano » Sun Jun 12, 2022 8:22 am

Dear Dimitri,
you can have a look to the GW tutorials where the main ideas and implementations are discussed:
http://www.yambo-code.org/wiki/index.ph ... rial:_h-BN
Moreover, also the yambo cheatsheet can be useful in linking input variables and GW expressions:
http://www.yambo-code.org/wiki/index.ph ... heatsheets

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/

DmitrySkachkov
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Joined: Mon Dec 13, 2021 8:52 pm
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Re: Documentation GW

Post by DmitrySkachkov » Sun Jun 12, 2022 6:00 pm

Thank you, Daniele!

Could you please explain the parameters for QPerange tag:

%QPerange
1| 32| 0.0| -1.0|
%

For first two (1| 32) it's clear, but what is the second pair ( 0.0| -1.0|), how to select these energy range?
Dmitry Skachkov
University of Central Florida
https://github.com/Dmitry-Skachkov

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Daniele Varsano
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Re: Documentation GW

Post by Daniele Varsano » Mon Jun 13, 2022 7:15 am

Dear Dimitry,

it is meant to select the number of QP corrections you want to calculate, ie all states belonging to the indicated energy range.
It is an alternative to QPkrange. Setting the second value lower than the first the variable is ignored and QPkrange is used.

Here you can find some description of yambo variables:
http://www.yambo-code.org/wiki/index.ph ... =Variables

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/

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