[Pw_forum] VC-RELAX with paw potential

Mayank Gupta mayankaditya at gmail.com
Wed Apr 13 17:13:16 CEST 2016


Dear all,


I am doing band structure calculation of PrMnO3 system. During relaxation
using paw pseudo potential using vc-relax calculation the volume relaxation
is not performed. Is there any restriction with PAW potentials.


Thanks

-- 




*--with regard'sM. K.  GuptaMUMBAI, INDIA*
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20160413/3ca81cae/attachment.html>


More information about the users mailing list