Molcas Forum

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