Dear Yamboers,
Is it possible to calculate the charge density wave computations in yambo?
Regards,
Sitangshu
Yambo and charge density wave calcultaions
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano, Conor Hogan
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sitangshu
- Posts: 196
- Joined: Thu Jan 05, 2017 8:08 am
Yambo and charge density wave calcultaions
Sitangshu Bhattacharya
Indian Institute of Information Technology-Allahabad
India
Web-page: http://profile.iiita.ac.in/sitangshu/
Institute: http://www.iiita.ac.in/
Indian Institute of Information Technology-Allahabad
India
Web-page: http://profile.iiita.ac.in/sitangshu/
Institute: http://www.iiita.ac.in/
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Daniele Varsano
- Posts: 4201
- Joined: Tue Mar 17, 2009 2:23 pm
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Re: Yambo and charge density wave calcultaions
Dear Sitangshu,
it is not totally clear what you mean here for "charge density wave computations", what exactly you need to compute?
In any case, please note that yambo read wave functions from the DFT ground state and these are not recomputed/updated with other approximations unless self-consistency is applied, but this feature at the moment has been not yet released.
Best,
Daniele
it is not totally clear what you mean here for "charge density wave computations", what exactly you need to compute?
In any case, please note that yambo read wave functions from the DFT ground state and these are not recomputed/updated with other approximations unless self-consistency is applied, but this feature at the moment has been not yet released.
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/