band calculation

Concerns issues with computing quasiparticle corrections to the DFT eigenvalues - i.e., the self-energy within the GW approximation (-g n), or considering the Hartree-Fock exchange only (-x)

Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano

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Daniele Varsano
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Re: band calculation

Post by Daniele Varsano » Sun Feb 28, 2016 10:32 am

Dear Samaneh,
ok, at least the calculation has started.
The problem you are encountering could be related to a small bug which has been fixed recently, that changed the index of bands to be interpolated.
You may have a look to this post and follow the instructions therein.

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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