Dear all vasp users,
I am trying to obtain the valence band maximum relative to the average electrostatic potential for GaN.
I found the value from OUTCAR file in band structure calculation.
band energies occupation
5.1346 1.76290
7.0885 0.00000
Is 5.1346 eV the bulk Evbm relative to average electrostatic potential?
Your help/suggestion would be very useful to me. Please help.
Thanks,
CK
How to obtain Evbm from the bulk calculation?
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ckindft
How to obtain Evbm from the bulk calculation?
Last edited by ckindft on Tue Nov 27, 2012 1:20 am, edited 1 time in total.
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support_vasp
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Re: How to obtain Evbm from the bulk calculation?
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