basis set linear dependency

Baudilio TEJERINA tejerina at si.fi.ameslab.gov
Wed Feb 27 05:00:00 GMT 2002


Hi
I am trying to optimize a molecule (closed shell) using CCSD(T) theory.  
After the first cycle the program stops with the following error:


ERROR: BASIS LINEARLY DEPENDENT OR WRONG S


I do not think that any of those causes of the error is correct; 
otherwise the error would have appeared earlier: HF calculation, for 
example.

Any suggestions to solve that? I would rally appreciate it!!


Thanks.

Baudilio Tejerina
AmesLab, Iowa State Univ.
Ames, IA.




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