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#1 2025-06-11 21:17:50
- PIjush Karak
- Member
- Registered: 2022-04-18
- Posts: 17
ECP basis use for Au atom
Dear Openmolcas Support Team,
I want to use the ECP basis for Au atom.
Can you suggests me one input file with an example of how to use ecp basis for Au atom ?
Looking forward to your kind reply.
with regards,
Pijush Karak
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