[CP2K-user] Different single point energy for different SCF methods?
raghavs... at gmail.com
Tue Jan 15 17:31:15 CET 2019
I'm trying to calculate energy of a particular configuration, what I
observed is I'm getting different values of Total Energies for different
*SCF setting* *Energy(KJ/mol)*
*Setting 1 :*
Could anyone please give me some insights, or Is it that I have understood
the SCF procedure wrongly?
Thanks and Regards,
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