[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...
--------------------------------------------------------------------------
Cyrille Barreteau
CEA Saclay, IRAMIS, SPEC Bat. 771
91191 Gif sur Yvette Cedex, FRANCE
~~~~~~~~~~~~~~~~~~~~~~~~~~~~
DTU Nanotech
Ørsteds Plads, building 345E
DK-2800 Kgs. Lyngby, DENMARK
~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+33 1 69 08 29 51 / +33 6 47 53 66 52 (mobile) (Fr)
+45 45 25 63 12/ +45 28 72 55 18 (mobile) (Dk)
email: cyrille.barreteau at cea.fr / cyrbar at nanotech.dtu.dk
Web: http://iramis.cea.fr/Pisp/cyrille.barreteau/
-------------------------------------------------------------------------------
________________________________
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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20141031/0287f8da/attachment.html>
More information about the users
mailing list