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9:08:33 AM PDT - Fri, Apr 19th 2013 |
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Hi all,
I am new to NWChem. I am trying to figure out how to do plane wave DFT calculations in NWChem.
In the input, inside the NWPW module section, I didn't understand from reading the documentation what units are used for the value of the CUTOFF keyword.
Anyone would care to enlighten me please?
Thank you very much.
Alfredo
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