[molpro-user] ?ERROR IN WRITE_DUMP: TOO MANY ENTRIES IN RECORD
Mario Tacconi
tacconi at caspur.it
Mon Jun 27 17:32:07 BST 2005
Dear Molpro Users,
After a converged MCSCF calculation I have got this error:
Natural orbital dump (state averaged) at molpro section 7100.2
(Orbital set 2)
?ERROR IN WRITE_DUMP: TOO MANY ENTRIES IN RECORD 7100.2 WHEN
WRITING EIG/NATURAL SET= 2
ERROR EXIT
CURRENT STACK: MAIN
I think the reason of that error may be a program limitation: Indeed, if
I decrease the number of the calculated electronic states the problem
disappears. Is there any possibility to work around this problem?
Best regards,
Mario Tacconi
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