[molpro-user] Too many domains needed in LT-DF-LCC2
benjfitz at gmail.com
Wed Feb 13 15:52:46 GMT 2013
I am using LT-DF-LCC2 to calculate the triplet transition energies of Pt
octomethyl porphyrin (input file at the bottom). After the third iteration
I get the following error,
ERROR: TOO MANY ORBITAL DOMAINS (>2408) PLEASE INCREASE MXDOMO IN COMMON
I looked back through the output file, but I did not see anything that gave
me a change in the number of domains. Is there a way to get an estimate
this so I have a reasonable estimate for increasing MXDOMO?
University of Minnesota
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