[Wien] NMR and Hyperfine coupling
liumin3683609 at 163.com
Tue Dec 3 02:51:55 CET 2013
I'm trying to perform a calculation with Wien2k 13.1 for the NMR , Here I have two questions: the first one, Could the program has the ability to calculate the Knight shifts of the NMR in metals? The second one: how can I get the hyperfine coupling A from this program, I have already calculate the hyperfine parameters, such as HFF, Borb,Bdip, how can I get the hyperfine coupling A from these parameters? Thank you very much!
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