[Pw_forum] k_point generation in ph.x for a grid

Ezad Shojaee ezadshojaee at hotmail.com
Sun Jul 15 07:17:57 CEST 2007


Hi
i have talked about it before, but i am not still satisfied!
when i do a serial run, for example the ph.x generates 400 k_points for one of the points  in the grid, but when i do the same in the parallel mode deviding the k_points between 4, it generates 112 k_points for the same point in the grid which the eigenvalues of 12 of them are exactly zero! and ofcourse the weights are different. and the interesting part is that the conclusion is different from the serial one!! what is the problem? 
Thanx for any help
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