[Pw_forum] how to get the number of plane waves
giannozz at nest.sns.it
Fri Jan 18 09:58:46 CET 2008
On Jan 18, 2008, at 9:53 , Lorenzo Paulatto wrote:
>> can anyone tell me how to get the number of plane waves used from the
>> output files? thanks.
> Dear Uki Zhu,
> the number of plane waves is printed in output "as number of G
> e.g. from example01:
> G cutoff = 189.7462 ( 2733 G-vectors) FFT grid: ( 20, 20,
this is actually the number of plane waves in the charge density.
The number of plane waves in the wavefunction is printed at the
last iteration, together with the k-point and the Kohn-Sham eigenvalues:
k = 0.1250 0.1250 0.1250 ( 335 PWs) bands (ev):
-5.6039 4.6467 5.9568 5.9568
The maximum number across k-points is printed at the beginning as "npwx"
Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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