[molpro-user] Problem with P-Space

Ashwani Kumar Tiwari ashwanit at iitk.ac.in
Mon Feb 27 05:20:47 GMT 2006


Dear All,
I have been trying to generate ab-initio data for He+ F2 system at MRCI
level using MOLPRO. For few point this shows the following error:

NOT ENOUGH SYMMETRY ADAPTED P-SPACE CONFIGURATIONS FOUND. LAST TRESHOLD
TRIED:
   1.60

 Eigenvalues of symmetry matrix

 ERROR EXIT


Could anyone please tell me how to rectify this problem.
Thanking you in anticipation.

with regards
Ashwani

**************************************
Ashwani Kumar Tiwari, Research Scholar
C/o Prof. N. Sathyamurthy
Department of Chemistry
Indian Institute of Technology Kanpur
Kanpur-208016, India
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