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

KRISHNENDU MUKHERJEE krishnendu at nmlindia.org
Tue Nov 29 12:56:23 CET 2022


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

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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