[Pw_forum] graphite cell optimization failed

[Paolo Giannozzi]

On Mar 24, 2011, at 18:45 , Eric Germaneau wrote:

> I'm currently trying to do the same thing with the vdW-DF
> method implemented in QE 4.3a but the program crash with the error:
>
>      from ggen : error #     45126
>      too many g-vectors

very strange, since this error is in a part of the code that is
not affected at all by vdW-DFT. You mean that if you run the
same input with and without vdW-DFT, you get the error in
the first case and  not in the second?

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222