Dear YAMBO communitiy,
I'm running GW with YAMBO 4.4.0. I tried to set DysSolver= "s" but in the output it was changed to "n". I don't know why. Looking at the source code, I found that this only could be changed in src/interface/INIT_barriers.F
if ( (l_ppa.and.trim(QP_solver)=='s').or.l_cohsex ) QP_solver='n'
However, I checked l_ppa and l_cohsex in src/modules/mod_drivers.F and they're all set FALSE.
Please give me some clues. I attached here my input file.
DysSolver = "s" does not work
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If you have trouble compiling Yambo, please make sure to list:
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DysSolver = "s" does not work
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Last edited by anhhv on Sat Apr 02, 2022 4:43 am, edited 1 time in total.
Viet-Anh Ha,
Oden Institute for Computational Engineering and Sciences,
https://www.oden.utexas.edu/
The University of Texas at Austin,
https://www.utexas.edu/
201 E 24th St, Austin, TX 78712, USA.
Oden Institute for Computational Engineering and Sciences,
https://www.oden.utexas.edu/
The University of Texas at Austin,
https://www.utexas.edu/
201 E 24th St, Austin, TX 78712, USA.
- Daniele Varsano
- Posts: 4201
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: DysSolver = "s" does not work
Dear Viet-Anh Ha,
I had a look at your input file, you are doing a gw calculation in plasmon pole approximation, as also stated from the name you gave to the file (ppa).
When using the plasmon-pole appoximation the secant method cannot be appkied. That's the reason of the barrier.
Best,
Daniele
I had a look at your input file, you are doing a gw calculation in plasmon pole approximation, as also stated from the name you gave to the file (ppa).
When using the plasmon-pole appoximation the secant method cannot be appkied. That's the reason of the barrier.
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/
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- Posts: 20
- Joined: Mon Nov 18, 2019 6:53 am
- Location: Austin, TX, USA
- Contact:
Re: DysSolver = "s" does not work
Hi Daniele,
Thank you for explaining. So, that means l_ppa was assigned to TRUE somewhere on-fly.
Viet-Anh
Thank you for explaining. So, that means l_ppa was assigned to TRUE somewhere on-fly.
Viet-Anh
Viet-Anh Ha,
Oden Institute for Computational Engineering and Sciences,
https://www.oden.utexas.edu/
The University of Texas at Austin,
https://www.utexas.edu/
201 E 24th St, Austin, TX 78712, USA.
Oden Institute for Computational Engineering and Sciences,
https://www.oden.utexas.edu/
The University of Texas at Austin,
https://www.utexas.edu/
201 E 24th St, Austin, TX 78712, USA.
-
- Posts: 20
- Joined: Mon Nov 18, 2019 6:53 am
- Location: Austin, TX, USA
- Contact:
Re: DysSolver = "s" does not work
Hi Daniele,
I'm curious why with plasmon approximation being used, DysSolver = "s" was not interested. Is there any technical issue here?
Best,
Anh
I'm curious why with plasmon approximation being used, DysSolver = "s" was not interested. Is there any technical issue here?
Best,
Anh
Viet-Anh Ha,
Oden Institute for Computational Engineering and Sciences,
https://www.oden.utexas.edu/
The University of Texas at Austin,
https://www.utexas.edu/
201 E 24th St, Austin, TX 78712, USA.
Oden Institute for Computational Engineering and Sciences,
https://www.oden.utexas.edu/
The University of Texas at Austin,
https://www.utexas.edu/
201 E 24th St, Austin, TX 78712, USA.
- Daniele Varsano
- Posts: 4201
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: DysSolver = "s" does not work
Dear Viet-Anh Ha,
it's because you need a reliable frequency dependency of the self-energy and PPA it is not.
Best,
Daniele
it's because you need a reliable frequency dependency of the self-energy and PPA it is not.
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/