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#1 2017-12-14 07:48:45
- freshman1234
- Member
- Registered: 2017-02-23
- Posts: 18
MRCISD incosistency problem
I was trying to perform MRCISD caculations. My mrci, guga and motra sections looks like this:
&MOTRA &END
Lumorb
JobIph
Frozen=29
&GUGA &END
Electrons=58
Spin=1
Inactive=24
Active=6
Ciall=1
&MRCI &END
SDCI
NRRoots=6
Roots=1 2 3 4 5 6
MAXiterations=49
End of InputNow, I get an error saying that there an internal incosistency in my code:
Some internal inconsistency of the code was detected
Could anyone help me with this?
Best wishes!
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