[Wien] optic and APW+lo

[Victor Shaposhnikov]

Dear Wien users,

On Tuesday, September 23, 2003, 8:23:09 AM Torsten Andersen wrote:
> If  I  remember correct, "optic" only works with the LAPW basis set.
> The  procedure to get correct results (also in the non-NaN cases) is
> to  change case.in1c (STOP 1 should be changed to STOP 0, and CONT 1
> to  CONT  0),  then rerun lapw1 (or lapw1c up and dn) and lapwso (if
> you use spin-orbit) before running "optic".

Does it true for all systems, even without spin-orbit coupling? If I'd
like   to   calculate   optical   properties   of   the  system  after
self-consistence  is  obtained  with  APW+lo,  is  it  enough  just to
calculate   lapw1   with  corrected  .in1-file  or  I  need  to  rerun
self-consistent  procedure  by run_lapw? I've tried that for bulk GaAs
and rezulting matrix elements were different.

-- 
Best regards,
Victor Shaposhnikov