[molpro-user] record the scaling factor for triples energy in CCSD(T)-F12
John Travers
jtravers70 at yahoo.com
Tue Jul 7 17:57:59 BST 2015
Dear all,
is there a simple way (variable) to record the scaling factor for triples energy in a ccsd(t)-f12 calculation? What i really want is to record both the unscaled and scaled cods(t)-f12 energies. Thanks!
Best
john
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