kindly tell how i would get master in wien 2kif you have any simple way to tell
On Monday, September 7, 2015 1:27 PM, Muhammad Sajjad <sajja...@gmail.com>
wrote:
Thank you veru much Dear Gavin
On Mon, Sep 7, 2015 at 11:25 AM, Gavin Abo <gs...@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==============================================
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--
Kind RegardsMuhammad Sajjad Post Doctoral FellowKAUST, KSA.
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