GU: Spin orbital coupling job fails

[bcnlma@hkpv17.polyu.edu.hk (Ida N. L. Ma)]

Dear Gamess user,

        I am trying to do spin orbit coupling calculation for some cation.
In this case, F+.  The gamess jobs fails with the following error:

 CHOOSING TO SOLVE SECULAR EQUATION IN MEMORY
 NUMBER OF WORDS AVAILABLE =     750000
 NUMBER OF WORDS USED      =      26205
 ENERGY MATRIX BUFFER SIZE =      10000
 EIGENVECTOR ROUTINE EINVIT DID NOT CONVERGE FOR VECTOR    1.  NORM =  1.88E-08
PERFORMANCE INDEX =  2.66E+06
 (AN ERROR HALT WILL OCCUR IF THE PI IS GREATER THAN 100)
 EIGENVECTOR ROUTINE EINVIT DID NOT CONVERGE FOR VECTOR    3.  NORM =  1.90E-08
PERFORMANCE INDEX =  2.64E+06
 (AN ERROR HALT WILL OCCUR IF THE PI IS GREATER THAN 100)
 EINVIT HAS FAILED TO CONVERGE FOR VECTOR    3
 EXECUTION OF GAMESS TERMINATED ABNORMALLY AT Fri Mar 22 17:29:49 1996

        What is the problem and how I can I solved it?  I have changed the
max. iteration to 500 already.

yours sincerely,
Ida N. L. Ma

Dr. Ida N. L. Ma
Assistant Professor
Applied Biology and Chemical Technology
Hong Kong Polytechnic University
TEL: 852-27665620
FAX: 852-23649932