[Pw_forum] IFC's

Paolo Giannozzi giannozz at nest.sns.it
Sun Sep 2 16:33:47 CEST 2007

On Sep 2, 2007, at 10:25 , Ezad Shojaee wrote:

> i want to know that are we able to use the 'IFC's calculated with  
> two grids' together? for example we calculate them by a 3*3*3 grid,  
> and then 4*4*4 , then use all of them in calculating C(q) for an  
> arbitrary point in the Brillouin zone?

no, it is not: you can use only one specific grid. In principle one  
start with a coarser grid and then add the missing points needed to have
a denser grid, I think, but it would be a mess

Paolo Giannozzi, Democritos and University of Udine, Italy

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