CCL:G: Gaussian excited state calculation error
- From: "Nihan Aldis" <naldis#%#gmail.com>
- Subject: CCL:G: Gaussian excited state calculation error
- Date: Wed, 27 Feb 2008 16:32:23 -0500
Sent to CCL by: "Nihan Aldis" [naldis(!)gmail.com]
Hi
I am trying to run a TD-DFT job using gaussian 03, and I got the following
error.
my command line is: #p TD-B3LYP/6-31G* opt gfinput iop(6/7=3)
WARNING| EIGENVALUE 11 TOO LARGE. REPLACED BY 25.000000
WARNING| EIGENVALUE 10 TOO LARGE. REPLACED BY 25.000000
WARNING| EIGENVALUE 9 TOO LARGE. REPLACED BY 25.000000
WARNING| EIGENVALUE 8 TOO LARGE. REPLACED BY 25.000000
WARNING| EIGENVALUE 7 TOO LARGE. REPLACED BY 25.000000
WARNING| EIGENVALUE 6 TOO LARGE. REPLACED BY 25.000000
WARNING| EIGENVALUE 5 TOO LARGE. REPLACED BY 25.000000
WARNING| EIGENVALUE 4 TOO LARGE. REPLACED BY 25.000000
WARNING| EIGENVALUE 3 TOO LARGE. REPLACED BY 25.000000
HESSIAN DOES NOT HAVE THE DESIRED LOCAL STRUCTURE
TAKING SIMPLE RFO STEP
SEARCHING FOR LAMDA THAT MINIMIZES ALONG ALL MODES
*****************************************
*** UNABLE TO DETERMINE LAMDA IN FmD114 **
*****************************************
Error termination via Lnk1e in /usr/local/g03C02_testing/g03/l114.exe at Wed
Feb 27 07:15:22 2008.
Job cpu time: 0 days 15 hours 43 minutes 57.3 seconds.
Does anyone know how to resolve this error or give suggestions?
Thanks