g-Shift Tensor (in ppm)
Just Got Here
2:25:28 PM PDT - Mon, Mar 28th 2016
Dear admins and users,

I am wondering if the unit in the g-Shift Tensor (in ppm) section should be ppt even though the section title shows a unit of ppm. Note that the tutorial provided by NWChem for CH3 radical explicitly uses a unit of ppt. Please see the line "Note that the tensor from a g-shift (Delta_g) calculation from NWChem is in ppt (parts-per-thousand)" in the file http://nwchemgit.github.io/images/EPR-pNMR.pdf.

Thank you,

Jingsong


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