[molpro-user] trans in ci
Masaru Fukushima
fukushim at hiroshima-cu.ac.jp
Sat Apr 7 03:53:40 BST 2012
Dear Andy,
Thanks for your response.
I've just tested your 'nightly' version. The results, such as
ci energies and transition moments, for my NO3 jobs are
the same for two parallel and serial executions. But the
natural orbitals ( wave functions ) with only a_1 symmetry
derived from the two ci executions are different, not only
the order, but also the values.
Thanks.
best wishes,
Masaru Fukushima
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