GW input file generation error

Concerns issues with computing quasiparticle corrections to the DFT eigenvalues - i.e., the self-energy within the GW approximation (-g n), or considering the Hartree-Fock exchange only (-x)

Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano

Post Reply
joydev.de
Posts: 2
Joined: Sat Dec 27, 2014 2:43 pm

GW input file generation error

Post by joydev.de » Mon Aug 21, 2023 9:23 pm

Dear Users,

I would like to generate the input file using the command line yambo -x -p p -g n and yambo -d -g n -V par using yambo-5.1.0 and yambo-5.0.4.
But it can't generate the yambo input file for GW calculation using plasmon pole approximation and real axis full GW calculations. .
The input files are attached. For ppa, the input file is not same as in tutorial.
Please give me a suggestion for generation of input files for GW calculation.

Thanks & Regards,
Joydev De,
P.hD student,
NISER, India
You do not have the required permissions to view the files attached to this post.

User avatar
Daniele Varsano
Posts: 3816
Joined: Tue Mar 17, 2009 2:23 pm
Contact:

Re: GW input file generation error

Post by Daniele Varsano » Fri Aug 25, 2023 9:52 am

Dear Joydev,

by typing yambo -h you have a short guide on input generation:

Plasmon pole calculation.

Code: Select all

> /yambo -gw0 p -g n

Real-axis:

Code: Select all

> yambo -gw0 r -g n 
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/

Post Reply