qusestions in ''BSE for 2D'' modular
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qusestions in ''BSE for 2D'' modular
''Use the truncated coulomb potential in a BSE calculation''. in this section, I follow the instructions stirctly. But, when I type the command '$ yambo -J 2D_WR_WC -F yambo_BSE.in -r -o b -p p -y d -k sex -V all', the corresponding parameters do not appear, that is BSENGBlk,KfnQP_E,BSEBands,BEnSteps,WRbsWF are missing. how do I fix it?
Dr. LIU Hongling
School of Physics, Shandong University
Jinan, CHINA
School of Physics, Shandong University
Jinan, CHINA
- Daniele Varsano
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Re: qusestions in ''BSE for 2D'' modular
Dear Liu,
the correct syntax is:
>yambo -o b -X p -k sex -r -y d
as "-p p" option triggers a gw calculation instead of a BSE.
you can type
> yambo -h
for input file command line help.
Best,
Daniele
the correct syntax is:
>yambo -o b -X p -k sex -r -y d
as "-p p" option triggers a gw calculation instead of a BSE.
you can type
> yambo -h
for input file command line help.
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/