[Pw_forum] Visualization of Local DOS
giannozz at nest.sns.it
Fri Sep 14 22:52:57 CEST 2007
On Sep 14, 2007, at 21:51 , Brad Malone wrote:
> So the progam has an issue with the number '45' it appears.
> Is there some reason why this shouldn't be allowed?
yes, there is one, as usual (there is always a reason in
quantum-espresso; it may not be a good reason, but it is one):
not all FFT dimensions are allowed...
> I saw that the requirements for nr1 to be 'allowed' or not
> is the same in v2 and it is in v3, looking at the set_fft_dim.f90
> Is there perhaps another difference as to why the FFT value isn't
...and the allowed values differ on different machines. You
produced that file on a different machine, or with different FFT's.
Try to read it on the same machine you used to produce it.
Unfortunately there is no simple general fix, as long as the
arrays are written in real space
Paolo Giannozzi, Democritos and University of Udine, Italy
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