Dear Yambo community,
I realized that yambo works only with nc pp (no paw or us), I guess a that a recommended database can exist, can someone help me on that?
Thanks in advance.
Youssef Aharbil,
Laboratory of Physics and Chemistry of Materials
Faculty of sciences Ben msik, Casablanca
Morocco
Norm conserving Pseupotential
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- Daniele Varsano
- Posts: 4198
- Joined: Tue Mar 17, 2009 2:23 pm
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Re: Norm conserving Pseupotential
Dear Youssef,
you can found several nc pseudopotential in the quantum espresso website:
http://www.quantum-espresso.org/pseudopotentials/
you can have a look also here:
http://theossrv1.epfl.ch/Main/Pseudopotentials
check for the PSlibrary 0.3.1, it should contain also NC pseudos.
Best,
Daniele
you can found several nc pseudopotential in the quantum espresso website:
http://www.quantum-espresso.org/pseudopotentials/
you can have a look also here:
http://theossrv1.epfl.ch/Main/Pseudopotentials
check for the PSlibrary 0.3.1, it should contain also NC pseudos.
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/
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- Posts: 2
- Joined: Mon Apr 13, 2015 6:46 am
Re: Norm conserving Pseupotential
Dear Daniel,
Thank you for the links, In facts, I've already works with PS library in terms of PAW and US PP.
Do you thinks that this NC PP are enough accurate to perform a quasi-particle calculation?
Youssef Aharbil,
Laboratory of Physics and Chemistry of Materials
Faculty of sciences Ben msik, Casablanca
Morocco
Thank you for the links, In facts, I've already works with PS library in terms of PAW and US PP.
Do you thinks that this NC PP are enough accurate to perform a quasi-particle calculation?
Youssef Aharbil,
Laboratory of Physics and Chemistry of Materials
Faculty of sciences Ben msik, Casablanca
Morocco
- Daniele Varsano
- Posts: 4198
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: Norm conserving Pseupotential
Dear Youssef,
Best,
Daniele
Hard to answer, Role of the PP in QP calculations is argument of research and debates. As a matter of fact most of the codes, including Yambo, works with NC PP, and this is more or less the standard in the literature.Do you thinks that this NC PP are enough accurate to perform a quasi-particle calculation?
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/