MRCISD incosistency problem.


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Posted by Dawid Grabarek on February 17, 2014 at 17:48:05:

Hi,

I was trying to perform MRCISD caculations. My mrci, guga and motra sections looks like this:
&motra
jobiph

&guga
spin=1
nactel=6
inactive=19 0 0
active=6 0 0
ciall=0

&mrci
sdci
nrroots=5
roots
1 2 3 4 5
maxiterations=49

Now, I get an error saying that there an internal incosistency in my code:
Some internal inconsistency of the code was detected

Could you help me with this?
Best wishes,

Dawid Grabarek




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