I have a electronic structure (band-structure calculated using VASP), which contains \Gamma_{8}, \Gamma_{7}, \Gamma_{6} bands theoretically. Now, my question is, how can I identify and find out exact position of these bands with respect to band energy ?
Thanks,
this link may help:
http://nbviewer.jupyter.org/github/gvallverdu/cookbook/blob/master/plotly_bandDiagram_SpinPolarized.ipynb
Best.
in the EIGENVAL output file each energy eigenvalue is written directly next to the k-point index. all that is left is to reference these energies to the fermi level if that is what you mean. this is also written in the OUTCAR file directly.
you can generally than extract these values somehow, which i assume you already are doing in order to plot the actual band structure. there are some software packages downloadable for matlab, python, mathematica, perl, and probably more to this this if you are in need of a script.
Dear All,
How does know number of bands corresponding to different element in compound for example LaVO4 (4 La, 4 V and 16 O atoms in unit cell) then how can I know number of bands corresponding to La, V, and O elements.
After running simulation number of bands are 112 . So how many bands corresponding to which elements.
Thank You
Shilendra
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