[QE-users] Parallelization and Input/Output of wfc in QE

[Stefano Baroni]

n 29 Nov 2022, at 13:21, KRISHNENDU MUKHERJEE <krishnendu at nmlindia.org> wrote:



How many G-vectors are required to describe a plane-wave ?

1


___
Stefano Baroni, Trieste -- http://stefano.baroni.me


It will be very helpful if I could understand the following part of the output that I am getting almost in the beginning.

G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum        6181    3093    885               364637   128843   20341

Thank you,
Regards,

Krishnendu

------------------------------------------------------------------------------------------------------------------------------------------

Actually, all the coefficients of all the wavefunctions AT A GIVEN K
POINT: there is one wavefunction file per k point.

Paolo

On 11/28/22 14:07, Riccardo Piombo uniroma1 via users wrote:
> So in a single file QE stores ALL the coefficients of ALL the wfcs?
>
> Is it correct?
>
>
> Thanks for your help,
>
> Riccardo Piombo
>


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