how to get the correlation energy and exchange energy parts from DFT calculation?
samuel.a... at student.ethz.ch
Wed Apr 20 07:04:13 UTC 2016
I am not sure this information is available. To me it seems the exchange
energy is only available separately if hartree fock or mp2 is used.
Maybe you could minimize a wave function and then make a restart from this
calculation, where you only use the exchange or only the correlation part
of the functional and do not minimize again.
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