Dear Everybody,
I am a new user of yambo. One query:
In yambo calculation with DFT inputs from Pwscf, is it necessary to perform
PWscf calculation with norm-conserving pseudopotential ?
Will Vanderbilt ultrasoft pseudopotential be ok for yambo interface ?
Soumendu Datta
CAMD, Dept. of Physics, Building 307,
Technical University of Denmark,
DK-2800 Kongens Lyngby, Denmark.
yambo from pwscf
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Daniele Varsano
- Posts: 3816
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: yambo from pwscf
Dear Soumendu,
ultrasoft pseudopotentials are not supported,
as stated in the FAQ of the yambo website.
Cheers,
Daniele
ultrasoft pseudopotentials are not supported,
as stated in the FAQ of the yambo website.
Cheers,
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/
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Soumendu Datta
- Posts: 2
- Joined: Fri Jun 05, 2009 11:50 am
Re: yambo from pwscf
Dear Daniele,
Thanks for the info.
Soumendu Datta
CAMD, Dept. of Physics, Building 307,
Technical University of Denmark,
DK-2800 Kongens Lyngby, Denmark.
Thanks for the info.
Soumendu Datta
CAMD, Dept. of Physics, Building 307,
Technical University of Denmark,
DK-2800 Kongens Lyngby, Denmark.