[Wien] EFG dependence on magnetic field

[Muhammad Sajjad]

Thank you veru much Dear Gavin

On Mon, Sep 7, 2015 at 11:25 AM, Gavin Abo <gsabo at crimson.ua.edu> wrote:

> Yes
>
> On 9/7/2015 1:55 AM, Muhammad Sajjad wrote:
>
> Dear Gavin
> Bundle of thanks for such a helping reply. Are the case.inorb and
> case.indm files are ok now for B-ext applied at 32 degree angle with x-axis?
>
> ================== case.inorb =====================
>   3  2  0                     nmod, natorb, ipr
> PRATT  1.0                    BROYD/PRATT, mixing
>   1 1 2                       iatom nlorb, lorb
>
>   2 1 2                       iatom nlorb, lorb
>
> 8. Bext 1. 0.62487 0. direction
> ============================================== ================== case.indm
> ===================== -9. Emin cutoff energy 2 number of atoms for which
> density matrix is calculated 1 1 2 index of 1st atom, number of L's, L1
>
>  2  1  2      dtto for 2nd atom, repeat NATOM times
>
> 0 0 r-index, (l,s)index ==============================================
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>
>


-- 
Kind Regards
Muhammad Sajjad
Post Doctoral Fellow
KAUST, KSA.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20150907/cc3cbd39/attachment.html>