Stable keyword in Gaussian software
- From: skpang~at~ctimail.com
- Subject: Stable keyword in Gaussian software
- Date: Thu, 12 Aug 2004 18:48:09 +0800 (HKT)
Dear all,
Gaussian software has a "stable" keyword to test the stability of a
single-determinant wavefunction with respect to relaxing various
constraints.
However, I cannot find this function in some quantum chemical
calculation software such as NWChem. (if I have not overlooked!)
Furthermore, I know that many users seldom use this function.
What is the purpose of this "stable" keyword? What are the situations
which the "stable" keyword is required?
Thank you for your attention!
Patrick
My e-mail address is : skpang~at~ctimail.com