How to obtain Evbm from the bulk calculation?
Posted: Tue Nov 27, 2012 1:20 am
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
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