CCL:G: SCF convergence problem with M06L functional in Gaussian 09
- From: "Bulumoni Kalita"
<bulumoni(!)dibru.ac.in>
- Subject: CCL:G: SCF convergence problem with M06L functional in
Gaussian 09
- Date: Fri, 26 Feb 2016 00:12:19 -0500
Sent to CCL by: "Bulumoni Kalita" [bulumoni- -dibru.ac.in]
Dear CCL users,
I have optimized tetrahedral structure of Pd4 cluster in (UB3LYP/LANL2DZ)
level in Gaussian 09. I wanted to repeat the calculation in (UM06L/LANL2DZ)
level. However, SCF is not converging in this case. Rather it is fluctuating
between to range of values. I have tried using SCF(xqc, maxcycle=500),
opt(maxcycle=500) etc.
Please give your valuable suggestions to overcome this problem.