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band structure: getting the correct band ordering

Posted: Fri May 24, 2013 11:29 pm
by alpha
Hi,
I am wondering if there is a simple way to get the correct band energy orderin out of VASP output files. I mean, can I figure out from the output whether two bands 'touch' at a particular kpoint or whether they cross?
Thank you!

band structure: getting the correct band ordering

Posted: Mon May 27, 2013 6:54 pm
by nulakani
u can do it by manually taking all the band energies from the EIGENVAL file

band structure: getting the correct band ordering

Posted: Wed May 29, 2013 4:15 am
by tlchan
You can plot the wave functions around the crossing point in the band structure. The wave functions belonging to the same band should have certain features preserved, such as the symmetry of the wave function.