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

[Paolo Giannozzi]

On Jul 11, 2007, at 12:14 , Ezad Shojaee wrote:

> when we want to calculate phonons for a grid, the code generates  
> k_points
> for each point in the grid which half of them have no weight  
> ( except for the
> Gamma point) what's the point?

for finite q one needs both \psi_k and \psi_k+q . The latter are  
those with
zero weight (this was useful in some cases but maybe it is obsolete)

> the code generates different # of k_points for a same point of grid  
> in the
> serial mode and the parallel mode with all other of parameters the  
> same

no it doesn't

Paolo
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Paolo Giannozzi, Democritos and University of Udine, Italy