GW calculation- ALGO=exact

Queries about input and output files, running specific calculations, etc.


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monazam
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GW calculation- ALGO=exact

#1 Post by monazam » Fri Aug 02, 2013 6:20 pm

Hi All,

Is it possible to use ALGO=Conjugate instead of ALGO=Fast prior to GW calculation? As I checked for bulk silicon(with moderate number of kpoints), there is no significant difference in band gap size Gamma point using either of this methods.
For our case of study using ALGO=Exact seems not feasible due to extremely high memory demand(~2.5 TB)
I would appreciate for any suggestions.

best
Last edited by monazam on Fri Aug 02, 2013 6:20 pm, edited 1 time in total.

support_vasp
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Re: GW calculation- ALGO=exact

#2 Post by support_vasp » Thu Sep 12, 2024 7:35 am

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP


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