Dear colleagues,
Hello.
Could you tell me how to decompose bands into s, p_x, p_y, p_z, ... components ?
Sincerely,
How to Decompose Bands
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twg01
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How to Decompose Bands
Last edited by twg01 on Tue Aug 18, 2009 5:46 am, edited 1 time in total.
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admin
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How to Decompose Bands
the easiest way is to have a look at PROCAR (set LORBIT=12 to obtain it)
Last edited by admin on Mon Oct 12, 2009 3:01 pm, edited 1 time in total.