Error in BSE calculations of hBN-2D

You can find here problems arising when using old releases of Yambo (< 5.0). Issues as parallelization strategy, performance issues and other technical aspects.

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Daniele Varsano
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Re: Error in BSE calculations of hBN-2D

Post by Daniele Varsano » Thu May 20, 2021 7:52 am

Dear Manish,

so there are problem in the calculation of the screening, not easy to spot.
My advise:
1) download the latest snapshot of the code:

Code: Select all

git clone git@github.com:yambo-code/yambo.git yambo
and see if the problem persists.

2) If so, link internal linear algebra library adding the following line in the configure:
./configure ... --enable-int-linalg

If the problem it is not solved we will investigate more in details.
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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