G98: can "CISD" be tested by "STABLE" or
- From: "Kiniu WONG Kin-Yiu" <kyiwong ^at^
- Organization: Physics CUHK
- Subject: G98: can "CISD" be tested by "STABLE"
or "STALE=OPT" ?
- Date: Wed, 6 Sep 2000 14:58:27 +0800
# UCISD/6-31G(d) SCF=Tight Stable
in Gaussian 98 (for workstation), I found that this input is the same as
# UHF/6-31G(d) SCF=Tight Stable
That is G98 only calculates HF energy not the CI energy instead. Then it
tests whether the HF (not CI)wavefunction is stable or not. So my question
is: can "CISD" be tested by "STABLE" or
"STALE=OPT" ? If yes, what should I
input? Thanks in advance.
Kiniu WONG Kin-Yiu
Department of Physics
The Chinese University of Hong Kong
Email: kiniu ^at^ cuhk.edu.hk or kyiwong ^at^ phy.cuhk.edu.hk