A problem with the CHARGE keyword in RASSCF?

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Posted by Andy Kerridge on July 23, 2008 at 18:24:00:

Hi,

I need to perform a CASSCF calculation on an charged system using MOLCAS 6.4, but when using the charge keyword, as specified in the manual, I receive the error:

READIN: Failed internal read when reading input
lines following command CHAR

This occurs no matter what format I use, e.g.

CHARGE
-2

CHAR
-2

CHARGE=-2

CHAR=-2

all give the same error message. Can anybody help with this?

Thanks,

Andy Kerridge

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