[Pw_forum] About gaussian cubic format

[Paolo Giannozzi]

saqib javaid wrote:

> the  xyz coordinates of the atoms given in the output file (...)
> do not match the coordinates used in SCF input file.

what do you mean by "do not match"? if you visualize the charge and the
atoms, do they look misplaced?

> Secondly, is there any way to increase the no. of mesh points in this 
> format.

the number of mesh points is determined by the size of the FFT grid.

P.
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy