notation for Midi! basis sets
Seth Olsen
seth at spawn.scs.uiuc.edu
Fri Dec 12 23:51:51 GMT 2003
I am running SA-CASSCF calcs on a series of substituted fluorophores. I
have decide that the MIDI! basis set should be good for what I'm doing, but
can't seem to get it to work. I'm told that there is no Midi! basis set
for carbon, which should not be the case. I want to know if I'm inputting
the basis set name correctly. I've tried basis=midi_bang, midi-bang and
midi!, and none work. Am I using an incorrect name for this basis
set? The library indicates that it should be available and I have found
and examined the midi_bang.libmol file, which appears to be in
order. Thanks in advance.
Seth Olsen
Center for Biophysics & Computational Biology
University of Illinois, Urbana-Champaign
seth at spawn.scs.uiuc.edu
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