hyperfine parameters in nwpw
Just Got Here
3:18:49 PM PDT - Mon, May 20th 2013
Is there a method to calculate hyperfine parameters from a periodic plane-wave calculation in NWChem?

Forum Regular
4:20:41 PM PDT - Mon, May 20th 2013
Hi Dave, Not yet. This is just available in the Gaussian DFT code at the moment.

Best,
-Niri

niri.govind@pnl.gov


Forum >> NWChem's corner >> NWChem functionality