[Pw_forum] PAW pseudopotentials
Mohssine El Bachra
mohssmpi at gmail.com
Sat Jun 11 19:28:29 CEST 2016
Dear QE users,
I have not found in the site quantum-espresso.org
<http://s.bl-1.com/h/1dKh6Vg?url=http://quantum-espresso.org/> the
pseudopotentials (PAW) for the atom of Barium and Zirconium.
I want a pseudopotential that has these characteristics:
Pseudopotential type: PAW
Method: Projector Augmented-Wave (Kresse-Joubert paper)
Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
Nonlinear core correction
scalar relativistic
thank you in advance,
----------------------------------------------------------------------------------
Mohssine EL BACHRA.
PhD student in the Faculty of Science Rabat Morocco.
Laboratory of Magnetism and Physics of High Energy (LMPHE)
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