[molpro-user] about state-averaged calculation
Wang Mingwei
mingwei at hpsv.pku.edu.cn
Tue May 11 03:40:16 BST 2004
Hello everyone,
When I did a state averaged calculation, I always met such erroneous
information
MORE STATES THAN CONFIGURATIONS SPECIFIED: 0 1
or
MORE STATES THAN CONFIGURATIONS SPECIFIED: 1 2
Do not the states exit?
Thank you for your reply very much.
yours, Mingwei
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