[Pw_forum] Berry Phase calculation for gdir=1,2 ; cvs version

2008-01-17 Thread um...@democritos.it
Dear Jess, It could be that k points where not string along the same direction defined by gdir, In the sense, let's suppose nppstr=3 if gdir=3, you should have something as K_POINTS (crystal) N number of total k_points 0. 0. 0. 1. 0. 0. 0.33 1. 0. 0. 0.66 1. 0.5 0. 0.

[Pw_forum] Berry Phase calculation for gdir=1,2 ; cvs version

2008-01-16 Thread Jess Kondor
Dear developers, According Changelog for CVS version, it is possible now to perform Berry Phase calculation for gdir=1 and gdir=2 . I've tried it for rhombohedral unit cell, but got the following message: ==