[Pw_forum] how to get the number of plane waves

[Paolo Giannozzi]

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  
> vectors",
> e.g. from example01:
>   G cutoff =  189.7462  (   2733 G-vectors)     FFT grid: ( 20, 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"

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