Dear developers:
I'd like to compute BSE equation on a fine mesh.However ,the calculation of static screen is quite time consuming . Are there any method to interpolate static from a coarse mesh to a fine mesh , then carry out BSE calculation on a fine mesh ?
By the way I heard that -Ksolver s is more efficient than -Ksolver d, and can still get exciton wave function,if I am only interested first few excitons. I am not familiar with it, do I need to test the convergence with respect to ''BSSNEig'', Is there anything need to be careful about when using -Ksolver s ?
Best wishes !
interpolate static screen
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baiyunfei
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interpolate static screen
Yunfei Bai
Institute of Physics Chinese academy of sciences, Beijing
Institute of Physics Chinese academy of sciences, Beijing
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Daniele Varsano
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Re: interpolate static screen
Dear Yunfei,
there is possibility to interpolate the static screening, but it is not yet extensively tested so its use is discouraged. It will be properly documented once the method is validated.
BSSNEig it is not a convergence parameter but indicates the number of eigenstates you want to calculate.
Best,
Daniele
there is possibility to interpolate the static screening, but it is not yet extensively tested so its use is discouraged. It will be properly documented once the method is validated.
BSSNEig it is not a convergence parameter but indicates the number of eigenstates you want to calculate.
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/