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Note: Mobility are sorted by ascending values and might not
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Joined: Mon Dec 26, 2016 10:49 am
Posts: 22
University: Inner Mongolian Univ
Note: Mobility are sorted by ascending values and might not
Dear all,
I find in the output file of epw2.out, there is a note like:"Note: Mobility are sorted by ascending values and might not correspond to the expected (x,y,z) axis" after each value along x, y and z. The question is: are all the values aorted by ascending sequence? If so, how could we know which value is along x, y, or z.?
Thanks!

Shudong

Fri Oct 12, 2018 2:31 pm

Joined: Wed Jan 13, 2016 7:25 pm
Posts: 563
University: Oxford
Re: Note: Mobility are sorted by ascending values and might
Dear Shudong,

You do not know. The reason is that the diagonalization algo that I call does sort by ascending values.

However this is usually not an issue. Indeed if you have an isotropic system you expect the values to be all very similar.
If you have a system with x=y and z different then you can guess which one is different.
If all the values are different, you can usually guess which one is supposed to be the largest (i.e. the one with smallest effective mass usually).

So in practice you should usually be able to tell the mobility along x,y,z.

Best,
Samuel

_________________
Department of Materials
University of Oxford
Oxford OX1 3PH, UK

Mon Oct 15, 2018 1:40 pm
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