Computing total energy with -RESTART.wfn and no SCF iterations
Nuri Yazdani
nuri.a.... at gmail.com
Fri Feb 3 15:59:14 UTC 2017
HI Matthias, Thanks for the quick reply. The problem with setting the EPS
to something high is that it will still perform one optimization step. I
want to get the total energy from the supplied wavefunction as is without
any modification.
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