[Wannier] wannier functions

[Jonathan Yates]

On 8 Mar 2010, at 06:59, sd.wang000 wrote:

> Dear developers:
> I want to plot the wannier functions with XCrysden ,the file is "plot.out"(the format is "xsf"), but it cannot be seen in the window of XCrysden.I dont know why.

Hi,

 Wannier90 writes XCrysden plotting files in the form seedname_00001.xsf (where seedname is taken from the seedname.win etc). To launch this you would do
 xcrysden --xsf gaas 00001.xsf
Once XCrySDen starts, click on Tools -> Data Grid in order to specify an isosurface value to plot.

The wannier90 tutorial has clear instructions on doing this (see example1 which doesn't require you to run an electronic structure code).


However, I'm confused by your mention of 'plot.out'. Are you actually using wannier90?

 Jonathan




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