Hi,
I'm wondering what unit of energy is used in NWChem DFT calculation?
Below shows one example, does the converge energy use hartree or eV or something else?
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Optimization converged
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Step Energy Delta E Gmax Grms Xrms Xmax Walltime
---- ---------------- -------- -------- -------- -------- -------- --------
@ 8 -30009.55658885 1.2D-08 0.00000 0.00000 0.00003 0.00005 323.3
ok ok ok ok
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