Dear users and developers,
I'm a freshman in Yambo and I am trying to complete Bethe-Salpeter kernel runlevel test in WS2 system. After convert single-electron wavefunction from PWSCF format (Pseudopotential: ONCV with fully-relativistic) to Yambo format and finish static screening calculation, there are some warring terms occur in Bethe-Salpeter kernel runlevel and then calculation stop. You can see errors as follows:
*****************************************************************
[WARNING] Using screening with less G than Weh interaction
[WARNING]Missing all or part of PP/Em1s DB
[WARNING]Bethe Salpter section skipped. Impossible to build the kernel.
[07] Timing Overview
*****************************************************************
And the input/output files of static screening calculation and Bethe-Salpeter kernel runlevel are shown as attached files.
All the best,
Shixuan
Department of PHY,
City University of Hong Kong,
Hong Kong SAR
Abort on BSkernel calculation: Using screening with less G than Weh interaction yambo
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- Posts: 7
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- Location: Hong Kong
Abort on BSkernel calculation: Using screening with less G than Weh interaction yambo
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- Posts: 7
- Joined: Tue Nov 29, 2022 6:08 am
- Location: Hong Kong
Re: Abort on BSkernel calculation: Using screening with less G than Weh interaction yambo
Dear all,
Thank you for your patience and I believe that must be some of you guys try to reproduce and solve this problem but also find nothing. Just because this is a problem "not that smart". The output data of static screening was put in a wrong file such that yambo cannot find it. Now I have complete the BSkernel computing by changing the file.
Aoplogize for my careless and hope find you all well!
All the best,
Shixuan
Departmet of PHY,
City University of Hong Kong,
Hong Kong, SAR
Thank you for your patience and I believe that must be some of you guys try to reproduce and solve this problem but also find nothing. Just because this is a problem "not that smart". The output data of static screening was put in a wrong file such that yambo cannot find it. Now I have complete the BSkernel computing by changing the file.
Aoplogize for my careless and hope find you all well!
All the best,
Shixuan
Departmet of PHY,
City University of Hong Kong,
Hong Kong, SAR
- Daniele Varsano
- Posts: 3814
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: Abort on BSkernel calculation: Using screening with less G than Weh interaction yambo
Dear Shixuan,
great, you solved the problem.
Please note, you can use the -J option, e.g.
in this way, Yambo search for the needed database in the SAVE and Screen directory.
Best,
Daniele
great, you solved the problem.
Please note, you can use the -J option, e.g.
Code: Select all
yambo -G input -J Screen
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/