[Wannier] Does wannier90 program need wfc file generated from pwscf process of scf or nscf ?
Nicola Marzari
marzari at MIT.EDU
Tue Nov 13 15:30:50 CET 2007
If you are using PWSCF, indeed you will need the wavefunctions for
the pw2wannier intermediate step.
nicola
r95222066 at ntu.edu.tw wrote:
> Hello,
>
> I want to ask if wannier90 package need the wavefunction files
> which are generated from PWSCF scf process or nscf process ?
> Because I have a system which has 66 atoms and I want to
> calculate the magnetic properties , and when I used more nodes to run
> pwscf program for faster , the wfc (wavefunctions) will be larger
> proportional to nodes I used. Thats situation confused me .
>
> Thanks a lot!
>
> Bing-Hong Chen
> _______________________________________________
> Wannier mailing list
> Wannier at quantum-espresso.org
> http://www.democritos.it/mailman/listinfo/wannier
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