Re: [Wien] NMR and Hyperfine coupling

I used only Wien2k 12.1 for this, but I think this is the same with 13.1: You get the hyperfine coupling constant A in [kG/mu_B] by dividing the HFF (Fermi-contact or B_orb, depending on which hyperfine coupling you are interested in) by the corresponding moment (see case.scf). You probably

Re: [Wien] NMR and Hyperfine coupling

Dear professor pieper: It's so kind of you. The paper which you sent to me is very useful, thank you very much! Best wishes min liu 在2013-12-03 17:31:27,刘敏liu...@iphy.ac.cn写道： I used only Wien2k 12.1 for this, but I think this is the same with 13.1: You get the hyperfine coupling

[Wien] NMR and Hyperfine coupling

Dear all: 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