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Full frequency on YAMBO
Posted: Thu Oct 12, 2023 2:38 pm
by manaswitakar
Hi,
Is it possible to perform a full-frequency GW calculation the latest available version of YAMBO? Can the results be trusted? Please let me know as convenient.
Regards,
Manaswita
Re: Full frequency on YAMBO
Posted: Thu Oct 12, 2023 3:08 pm
by Daniele Varsano
Dear Manasawita,
yes, sure you can perform full-frequency (FF) calculations and of course you can trust the results provided they are converged. The difficulty is that FF are very
heavy because they converge slowly with respect to the number of frequencies to be used.
In the last version of Yambo it has been released the MPA (multipole approximation) method, which allow speeding up the calculation without loosing accuracy wrt the FF method.
You can find here a reference of the MPA:
https://journals.aps.org/prb/abstract/1 ... 104.115157
and here is a tutorial to use it:
https://www.yambo-code.eu/wiki/index.ph ... tion_(MPA)
Best,
Daniele
Re: Full frequency on YAMBO
Posted: Thu Oct 12, 2023 3:18 pm
by manaswitakar
Hi,
Thanks for your response. So this is only for Yambo 5.2?
Regards,
Manaswita
Re: Full frequency on YAMBO
Posted: Thu Oct 12, 2023 4:03 pm
by Daniele Varsano
Yes,
see here the full release notes:
https://github.com/yambo-code/yambo/releases
Best,
Daniele