Posted by Dawid Grabarek on February 17, 2014 at 17:56:44:
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