[Pw_forum] hybrid band structure calculation

[Paolo Giannozzi]

On Sun, 2013-06-16 at 13:21 +0100, Davide Tiana wrote:

> I've tried to calc a band structure using hybrid as suggested
> [...] the problem is that pw complain and stop to run since:

>       Error in routine exx_grid_init (2):
>        k + q is not an S*k

I think that the hybrid code works only with a uniform grid 
of k-points, so all you can do is to calclaute a band 
structure for those points only

P.
-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222