[molpro-user] Regardin open shell singlet calculation

Rameswar Bhattacharjee rameswarb22 at gmail.com
Thu Mar 5 04:32:19 GMT 2015


Dear All,
I want to perform a single point calculation using "multi" method.Now if my
system is open shell singlet than, how I will define my "wf" card for the
system?  Any suggestion will be highly appreciated.Thank you


-- 
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*"The man who makes no mistakes does not usually make anything."*
*                                  Edward John Phelps (1822-1900)*
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Rameswar Bhattacharjee
Junior Research Fellow
Dept. of Spectroscopy
Indian Association for the Cultivation of Science
Jadavpur, Kolkata-32
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