[Pw_forum] calculations of hyperfine tensor

Ari P Seitsonen Ari.P.Seitsonen at iki.fi
Sat Nov 21 10:09:22 CET 2009


Dear Jones,

   Well, by-product in the sense that it is the hyperfine tensor is very 
cheap to calculate, but still you have to use the module GIPAW (gipaw.x) 
to get it.

     Greetings,

        apsi

-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
   Ari P Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
   Physikalisch-Chemisches Institut der Universitaet Zuerich
   Tel: +41 44 63 54 497  /  Mobile: +41 79 71 90 935

On Sat, 21 Nov 2009, Jones Tsz-Kai Wan wrote:

> Dear pwscf/gipaw users,
>
> Does anyone have experience on hyperfine tensor calculation using QE?
> I'm trying to calculate the hyperfine tensor in diamond defects, and I
> heard that the hyperfine tensor is given during gipaw calculation as a
> by-product.
>
> Regards,
>
> Jones Wan
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