[molpro-user] Too many domains needed in LT-DF-LCC2

[Benj FitzPatrick]

Hello,
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
CLOCAL

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?

Thanks,
Benj FitzPatrick
University of Minnesota

gdirect
symmetry,nosym
geometry={
...
}

 basis={
 default,6-31g(d);
 ecp,pt,ECP60MDF;
 pt=lanl2dz;

 set,df
 default,tzvpp/mp2fit

 set,jk
 default,tzvpp/jkfit
 }

 spherical

 {hf; start,atdens}

 {lt-df-lcc2
 eom,-7.1,singlet=0,triplet=1
 eomprint,popul=-1,loceom=-1
 dfit,df_basis=df,basis_exch=jk}
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20130213/3b3dc61f/attachment.html>