[Wien] Checking L,M Basis for new Local Rotation Matrix

[David Tompsett]

Dear All,

I have changed the local rotation matrix for an atom in my system from 
the default found by program SYMMETRY. I have determined what I think 
the new L,M basis should be according to the prescription in reference 
Kara and Kurki-Suonio 81.

In the UG it says "Perform a run of LAPW1 and LAPW2 using the 
GAMMA-point only (or a complete star of
another k point). In such a case, “wrong“ LM combinations must vanish."
I want to check my new basis by this method. In what sense would the 
wrong LM vanish? Which output file would I look at?

Thank you for any help,
David.

-- 
David A. Tompsett
Quantum Matter Group
Cavendish Laboratory
J. J. Thomson Avenue
Cambridge CB3 0HE
U.K.
Tel: +44 7907 566351 (mobile)
Fax: +44 1223 768140
http://www-qm.phy.cam.ac.uk/