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You can choose an avatar and change the default style by going to "Profile" → "Personality" or "Display".#1 2022-01-03 13:27:38
- patrashantigopal@gmail.co
- Member
- Registered: 2021-12-22
- Posts: 2
Unable to create ANISOINPUT file in SINGLE_ANISO calculation
Dear All,
I am using OpenMolcas (the latest version).
I wanted to perform a POLY_ANISO calculation of a transition metal-lanthanide cluster.
While I am running the SINGLE_ANISO module all calculations are going well. However, it is not creating any ANISOINPUT file. Thus I am unable to proceed to to the POLY_ANISO calculation.
I shall be very helpful if someone can help me in this regard.
Sincerely yours,
Dr. Shanti Gopal Patra
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