[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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