[Wien] energy bands of a particular atom
b. abedi
abedi526 at gmail.com
Sun May 3 23:48:52 CEST 2009
Dear wien users,
I need to know how I can plot only the energy bands of a particular
atom in a unit cell. When executing the band structure I change the
parameters “jatom” & “jtype” in case.insp according to my needs, but
this makes the plot (especially when there many atoms in the cell)
just so blurred to analyze.
More Explanation: My purpose is to check the exchange splitting of Fe
bands in FeCo alloy change with respect to those in pure Fe crystal.
To keep a similarity between the structures I’ve built the bcc Fe cell
with a type one Fe at (0,0,0) and a type two Fe at (1/2,1/2,1/2).
Thank you for your help.
Bahram Abedi
abedi526 at gmail.com
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