| 10:42:46 AM PDT - Tue, Jun 30th 2015 |
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Hi everyone,
I am new to Nwchem and I wish to do an energy optimization (or minimization) on sodalite (which is a type of zeolite). I have generated the coordinates of the atoms within the zeolite from another software, however, I don't know what directive I should use for the energy optimization.
I would really appreciate it if someone could help me out here.
Thanks
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