oscillatory hydock

Please post here any issue related to convergence parameters in linear response GW and BSE calculations.

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oscillatory hydock

Postby burkzdemir » Mon Feb 25, 2019 5:41 pm

Dear Yambo developers,

I am running GW+BSE calculation. I was able to run with "-y d" option and results are smooth however when I run with "-y h" results are oscillatory. What can I do to make the results smooth (flat) with "-y h" option which is much more faster as I experienced.

Burak,
Best
Burak Ozdemir
Post-doc, UNAM,
Bilkent University, Ankara, Turkey
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Re: oscillatory hydock

Postby Daniele Varsano » Mon Feb 25, 2019 6:00 pm

Dear Burak,
you can surely make your threshold more stringent: a lower value for
Code: Select all
BSHayTrs
.
If it does not solve your problem please post an example of what you are observing.

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/
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