follow this link http://www.quantum-espresso.org/pseudopotentials/pslibrary/
2016-06-11 19:28 GMT+02:00 Mohssine El Bachra <[email protected]>: > 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) > > > > > > ᐧ > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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