DOS+PDOS

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

Moderators: Daniele Varsano, andrea marini, Conor Hogan, myrta gruning

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lamia
Posts: 41
Joined: Mon Dec 05, 2016 5:09 pm

DOS+PDOS

Post by lamia » Sat Oct 03, 2020 10:13 pm

Dear Yambo Developers,

How to get DOS and partial density of states after doing GW calculations?

Best,
Taouil Lamia
University of Mohammed V
Faculty of science - Rabat
Morocco

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Daniele Varsano
Posts: 2614
Joined: Tue Mar 17, 2009 2:23 pm
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Re: DOS+PDOS

Post by Daniele Varsano » Sun Oct 04, 2020 9:58 am

Dear Taouil,
you can use ypp to generate the DOS (and print pdos).
ypp -s s -V qp
The QP corrections are taken into account by using the GfnQPdb or GfnQP_E keywords if you want to use QP database or scissor operator respectively.

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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