Dear all,
I am a new user and trying to do a cohsex calculation with yambo 5.2.3, and should I use the yambo or yambo_sc executable?
My option for cohsex is >yambo -r -x -d -k hartree -g n -p c, and is it OK?
Thanks!
Jingqi
COHSEX for Yambo 5.2.3
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano
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sdwang
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Daniele Varsano
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Re: COHSEX for Yambo 5.2.3
Dear Shudong,
it depends if you want to do a self-consistent calculation or just a one shot calculation.
Please note, the self-consistent calculation should work, but it is still experimental.
Best,
Daniele
it depends if you want to do a self-consistent calculation or just a one shot calculation.
Please note, the self-consistent calculation should work, but it is still experimental.
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/
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/