g-Shift Tensor (in ppm)

From NWChem

Viewed 1383 times, With a total of 0 Posts
Jump to: navigation, search

Just Got Here
Threads 2
Posts 2
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://www.nwchem-sw.org/images/EPR-pNMR.pdf.

Thank you,

Jingsong
Edited On 2:26:24 PM PDT - Mon, Mar 28th 2016 by Huangj3


Forum >> NWChem's corner >> NWChem functionality



Who's here now Members 0 Guests 1 Bots/Crawler 0


AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC