[Wannier] How do I change the interpolation mesh

刘建 b12130012 at hnu.edu.cn
Tue May 1 08:25:52 CEST 2018


Hi,

  I'm following the wannier90 tutorial example 16, it goes well. However , in the "Further ideas" , it mentions that "Change the interpolation to a 60×60×60 mesh and run again postw90" . I'm confused here. How can I change the interpolation to a 60×60×60 mesh? I was tried to change the mp_grid from 4 4 4 to 60 60 60 in  Si.win. Apparently it didn't work, failed to read Si.eig , because  the kpoints changed. Do I have to redo the step 2 , run a nscf with a k mesh 60 60 60 ?

best regards

Jian Liu


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