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yambo from pwscf

Posted: Tue Aug 04, 2009 1:23 pm
by Soumendu Datta
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.

Re: yambo from pwscf

Posted: Tue Aug 04, 2009 1:36 pm
by Daniele Varsano
Dear Soumendu,
ultrasoft pseudopotentials are not supported,
as stated in the FAQ of the yambo website.

Cheers,

Daniele

Re: yambo from pwscf

Posted: Tue Aug 04, 2009 3:31 pm
by Soumendu Datta
Dear Daniele,

Thanks for the info.

Soumendu Datta

CAMD, Dept. of Physics, Building 307,
Technical University of Denmark,
DK-2800 Kongens Lyngby, Denmark.