[Pw_forum] need technical reason -why nscf is not running in gamma point? (Giovanni Cantele)

Raj kamal rajkamalloyola at gmail.com
Sat Jun 11 13:31:37 CEST 2016


dear experts
> please give me any technical reason for this problem .i was trying to
calculate dos for C60 fullerene but nscf is not running in gamma point and
its running in 1 1 1 k point.

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from tetrahedra : error #         1
     cannot remap grid on k-point list
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from tetrahedra : error #         1
     cannot remap grid on k-point list


-- 
*Best regards,*
*Rajkamal.A.*
*Research Scholar,(SRM UNIV).*
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20160611/c3652fc3/attachment.html>


More information about the users mailing list