Dear Developers:
Could Yambo deal with pseudopotentials (PPs) with nonlinear-core correction (NLCC)?
If so, how does Yambo treat PPs with NLCC? For example, which file is responsible for this functionality?
Sincerely,
Issue with nonlinear core correction in PPs
Moderators: myrta gruning, andrea marini, Daniele Varsano, Conor Hogan
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hlee
- Posts: 29
- Joined: Mon Jul 15, 2013 2:09 pm
Issue with nonlinear core correction in PPs
Dr. Hyungjun Lee
Institute of Theoretical Physics, EPFL
Institute of Theoretical Physics, EPFL
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Davide Sangalli
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Re: Issue with nonlinear core correction in PPs
Dear Hyungjun Lee,
yambo does not deal with the NLCC.
If you try to use a pseudo-potentials with NLCC the code will run but the NLCC will be simply neglected.
Best,
D.
yambo does not deal with the NLCC.
If you try to use a pseudo-potentials with NLCC the code will run but the NLCC will be simply neglected.
Best,
D.
Davide Sangalli, PhD
CNR-ISM, Division of Ultrafast Processes in Materials (FLASHit) and MaX Centre
https://sites.google.com/view/davidesangalli
http://www.max-centre.eu/
CNR-ISM, Division of Ultrafast Processes in Materials (FLASHit) and MaX Centre
https://sites.google.com/view/davidesangalli
http://www.max-centre.eu/
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hlee
- Posts: 29
- Joined: Mon Jul 15, 2013 2:09 pm
Re: Issue with nonlinear core correction in PPs
Dear Davide Sangalli:
Thank you very much for your reply.
I will instead use PPs with the semi-core states.
Sincerely,
Thank you very much for your reply.
I will instead use PPs with the semi-core states.
Sincerely,
Dr. Hyungjun Lee
Institute of Theoretical Physics, EPFL
Institute of Theoretical Physics, EPFL