[Pw_forum] tetrahedra occupations

project way project.way95 at gmail.com
Wed Mar 8 21:23:00 CET 2017


Dear QE Developers and users

Is there any limitations for changing occupations from smearing to
tetrahedra?

when i do it the following error occurs :

    Error in routine iosys (1):
     force calculation with tetrahedra not recommanded: use smearing


regards
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170308/92ea177f/attachment.html>


More information about the users mailing list