Author Topic: Obtain exchange energy from DFT calculation  (Read 70 times)

prasanta13

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Obtain exchange energy from DFT calculation
« on: November 10, 2021, 07:33:49 AM »
Hi there,
I am running few DFT calculation from Turbomole 7.5 with PBE, PBE0 functional. I want the exchange energy separated out in the output. Where to find the exchange energy in the output or how to get it printed in the output?