[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.


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

Prof Nicola Marzari   Department of Materials Science and Engineering
13-5066   MIT   77 Massachusetts Avenue   Cambridge MA 02139-4307 USA
tel 617.4522758 fax 2586534 marzari at mit.edu http://quasiamore.mit.edu

More information about the Wannier mailing list