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#1 2019-05-15 01:08:41

daishudaishu
Member
Registered: 2019-02-24
Posts: 22

diffused basis or Rydberg basis

Dear all,
I was wondering how to include the diffused basis for spin-orbit calculation of CH3I? I am trying to build a Rydberg basis, but the manual is very confusing. Is there any example input files available?
http://www.molcas.org/documentation/man … 0000000000

Thanks a lot!

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