[Wien] How to convert the MHz to KGauss in Hyperfine calculations

[Jair C. C. Freitas]

Ahmad, you need the magnetogyric ratio of each nucleus to convert 
magnetic field into frequency units (and vice versa). You can find 
these values in tables such as this:
http://www.bruker-nmr.de/guide/eNMR/chem/NMRnuclei.html

(And, of course, remember 1 Tesla = 10 kG,   2pi rad/s = 1 Hz.)

Cheers,

Jair

At 11:53 26/8/2010, you wrote:
>Dear WIEN2k users,
>
>I have a question about hyperfine field calculations at WIEN2K code.
>In fact, i would like to compare my hyperfine results obtained from 
>two different codes: Quickstep code and Wien2k.
>As most of you know, the Quickstep gives us the hyperfine parameters 
>in unit of "Mhz" but Wien2k gives Fermi contact Hyperfine field in KGauss.
>In addition to these codes, the Gaussian03 code gives the 
>corresponding parameters in "Mhz" and also in "Gauss" units.
>Is there any difference between KGauss in Wien2k and Gauss in 
>gaussian codes? I mean that I can simply suppose that 1KGauss is 
>equal to 1000 Gauss or not?
>
>How to convert Mhz in Quickstep code  to KGauss in Wien2k code for 
>any element for example for Hydrogen and carbon?
>
>
>I am really appreciate if anybody can answer my questions.
>
>Best regards,
>
>Ahmad
>
>_______________________________________________
>Wien mailing list
>Wien at zeus.theochem.tuwien.ac.at
>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien