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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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