[molpro-user] Fwd: Atomic spin density (Mulliken spin density) calculation

Subharaj Hossain subharaj30195 at gmail.com
Mon May 15 08:10:44 CEST 2017

I am a licensed user from Indian Institute of Science (IISc), Bangalore.
I have been trying to do atomic spin density calculation of C4(linear)by
CASSCF(12,12)/cc-pvdz method. I used '{pop; individual}' keyword for
calculating atomic spin density
  However, the calculation is terminating with message " RECORD
Kindly suggest the best possible option recommended for this kind of
I am attaching the input file and output file for your kind information and
ready reference.
Thanking you in advance and looking forward to receiving your valuable
suggestions at your earliest convenience.
Best regards,
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