[Pw_forum] Relativistic ultrasoft pseudopotential for Co

BARRETEAU Cyrille cyrille.barreteau at cea.fr
Fri Oct 31 12:01:29 CET 2014


Hi Prasenjit

Hope everything is going fine in Pune...

Have a look at the pslibrary. There is a relativistic pbe pseudo in the 1.0.0 version
http://www.qe-forge.org/gf/project/pslibrary/frs/?action=FrsReleaseBrowse&frs_package_id=41

Cyrille

ps: Do not forget so give your affiliation...

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Cyrille Barreteau
CEA Saclay, IRAMIS, SPEC Bat. 771
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DTU Nanotech
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email:     cyrille.barreteau at cea.fr  /  cyrbar at nanotech.dtu.dk
Web:     http://iramis.cea.fr/Pisp/cyrille.barreteau/
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________________________________
De : pw_forum-bounces at pwscf.org [pw_forum-bounces at pwscf.org] de la part de Prasenjit Ghosh [prasenjit.jnc at gmail.com]
Envoyé : vendredi 31 octobre 2014 11:12
À : PWSCF Forum
Objet : [Pw_forum] Relativistic ultrasoft pseudopotential for Co

Dear all,

I was wondering if any one has full relativistic ultrasoft pseudopotential with PBE exchange correlation functional for Co and if so he/she can share it with me.

With regards,

Prasenjit
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