[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. 

best wishes,
Masaru Fukushima

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