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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