[Wannier] write wfc file

Haichang Lu hl432 at cam.ac.uk
Tue Apr 25 12:49:04 CEST 2017


Dear all,
I am using pw2wannier90.x to generate bloch state overlap. However, it 
said that error of opening seedname.wfc1 file in pw2wan.out.
When calculating nscf, the wfc file is not written. However, the wfc 
file comes up during the calculation and disappear after it finished.

I wonder why pw2wannier90 need wfc file and how can i write it?

I use multiple processor in nscf calculation but pw2wannier90 can only 
do 1 single process calculation. Should I use 1 processor to generate 
only wfc1 file?

Thanks


-- 
Haichang Lu
Department of Engineering , University of Cambridge

Centre for Advanced Photonics and Electronics,9 JJ Thomson Ave, 
Cambridge
CB3 0FA, United Kingdom

St. Edmund's college
Tel: +44(0) 7778 392573



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