Can I extract electron probability distribution for a particular band and K value?

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lahaye · #1 Post by **lahaye** » Mon May 15, 2006 6:32 am

Hello,

Last week I saw a presentation where the speaker showed the electron
density distribution for a particular band with a specific k value. For some
k-values, the electron was more at the edges, whereas for other k-values
it was more in the center of the structure.

Is there a way to extract that information from the VASP output files?

Thanks,
Rob.

#2 Post by **admin** » Thu May 18, 2006 2:11 pm

you can achieve this by plotting the band-decomposed charge densities, please have a look at
http://cms.mpi.univie.ac.at/vasp/vasp/node138.html
for a more detailled explanation