Dear All,
I want to calculate crystal field diagram for some transition metal centered octahedra. Is it possible to calculate crystal-field splitting energies from VASP ? How Can I calculate these sets of energies of some element forming octahedra or some square planar geometry with some ligand ions (like oxygen) ?
Regards,
swarnakamal
crystal field splitting
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swarnakamal
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crystal field splitting
Last edited by swarnakamal on Thu Jan 24, 2013 2:05 pm, edited 1 time in total.
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asaduzza
crystal field splitting
Any answer on the above query???
Last edited by asaduzza on Wed Jul 31, 2013 12:19 am, edited 1 time in total.