[Wannier] Can wannier90 plot two wannier orbitals in a same xsf file?
Nick Papior Andersen
nickpapior at gmail.com
Wed Sep 17 12:35:42 CEST 2014
Or you can do it in vmd (you just need cube files).
VMD allows plotting as many cubes as needed simultaneously.
Just for completeness sake. :)
2014-09-17 12:08 GMT+02:00 Jonathan Yates <jonathan.yates at materials.ox.ac.uk
> On 17 Sep 2014, at 02:19, Houlong Zhuang <zhuanghl at gmail.com> wrote:
> > For example, instead of showing Gaas-orbitals 1 and 3 in separate xsf
> files. Is there any method that can overlap the two plots.
> It’s been a long while since I looked at this, but my memory is that
> Xcrysden cannot plot two orbitals at the same time (maybe it can plot the
> sum of them, but that is not the same thing).
> It might be worth looking at Jmol. The main author of Jmol added support
> for reading xsf files a couple of years ago, and it should have no problem
> plotting multiple Wannier functions. It can also plot fermi surfaces from a
> bxsf file, and can map properties onto that plot (e.g. one could colour
> code a fermi surface with the magnitude of the fermi-velocity).
> The only downside with Jmol is that it can be tricky to work out the
> commands you need to do things. It has a very powerful scripting language
> to give you quite precise control. However, the Jmol user list is very
> helpful. I have been meaning to write some notes on using Jmol to do
> Wannier visualisation, but I’m afraid this is not going to happy anytime
> soon. But perhaps someone would be willing to write some notes we could
> My final thought is to remind users of the w902pov tool included in the
> 2.0 release. This is for producing ray-traced isosurfaces from xsf files.
> Department of Materials, University of Oxford, Parks Road, Oxford, OX1
> 3PH, UK
> tel: +44 (0)1865 612797 http://users.ox.ac.uk/~oums0549/
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Kind regards Nick
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