[molpro-user] Error in MCSCF.

Wang Mingwei mingwei6114 at gmail.com
Tue Apr 24 07:49:55 BST 2007


Hi everyone,
  I got this following error message in a multi calculation:

 Number of core orbitals:        149 (149 )
 Number of closed-shell orbitals:  6 (  6 )
 Number of active  orbitals:      10 ( 10 )
 Number of external orbitals:     93 ( 93 )

 Number of CSFs:     210 (    210 determinants,    210 intermediate states)
 CI vector dump at record                   1.1

 Valence orbitals read from record       2200.2  Type=UHF/NATURAL (state 1.1
)
 Frozen core orbitals read from record   2200.2  Type=UHF/NATURAL (state 1.1
)

 ?ERROR IN RESERVE_DUMP: NO RECORD GIVEN

Could anyone tell me the reason?

Thanks a lot.

mingwei
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