[molpro-user] state averaged DMRG

[Clemens Rauer]

hi,

i am trying to run a dmrg job. i got it to work for the ground state, 
but not for state-averaged excited states.  when i use the nroots 
keyword, as specified in the documentation,

{dmrg,maxm=250
  core,54
  occ,74
  nroots,2
};

i get an error as dmrg does not know the nroots command. and when 
instead i use the "state,2,1,2" option the program ignores it and still 
calculates only the ground state. can you help me figure out what i am 
missing?

thanks,
clemens