[Wannier] about non-collinear and spin-orbital calculation

Jonathan Yates jonathan.yates at materials.ox.ac.uk
Wed Jun 19 19:57:45 CEST 2013

On 15 Jun 2013, at 02:50, chen ian <86ianchen at gmail.com> wrote:

> does this means for non-collinear and spin-orbital calculation, it's not possible to plot wannier function in the present version of wannier90?

This is correct. Although note that you would need to modify pw2wannier90 as well.

 The changes required are not too difficult. But you would need to think about what you wanted to visualise - it might not be the same in every system. Remember that in some cases your MLWF would be described by a 2-component spinor with each component having real and imaginary parts.


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