[Wannier] spin polarized GW0 band structure calculation with VASP and wannier90

Jonathan Yates jonathan.yates at materials.ox.ac.uk
Wed Dec 4 19:47:30 CET 2013

On 4 Dec 2013, at 08:46, 康利静 <hslk77 at hotmail.com> wrote:

> Dear all,
> I'm new with wannier90. Now I'm trying to get the band structure from a spin polarized GW0 calculation by wannier90.
> By setting LWANNIER90=T, I got the wannier90 files as: wannier90.win, wannier90.wout, wannier90.up.mmn, wannier90.dn.mmn, wannier90.up.eig, wannier90.dn.eig. Now I want to ask how to run wannier90 to get the band structure? If I simply type: "wannier90.x wannier90.win", I get the error message as: "Error: Problem opening input file wannier90.mmn". Could anyone kindly tell me how to do this?

Wannier expects to find a set of files of the form <seedname>.win <seedname>.amn <seedname>.mmn <seedname>.eig 
 So you need to rename the files slightly to conform to this pattern. One option is

cp wannier90.win wannier90.up.win
wannier90.x wannier90.up

 You will then get output files wannier90.up.wout etc.


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