[Wien] Problem in introducing the LOCAL ROTATIONS

[Shyam]

Respected Sir,
Good morning.
I want to study the effect of the local rotations on the calculated DOS
and other properties of a system. I am presently using WIEN2K83 for my
calculations.
1). What I have did:
   a. I have run the scf calculations and got it to converge accurately as
per th e default convergence criterion.
   b. Executed the "lapw2" with option "-qtl" with out changing the
case.inq file created by the programme.
   c. Calculated the DOS by executing the "tetra".
   d. As per the description given in the "QTL-Technical report" by P.
Novak and section 8.2 on page 109 of the user guide entitled as QTL
(calculates special .... matrices), I have changed values corresponding
to the "loro" tag in case.inq first for a particular atom and then for
all atoms.
   e. Recalculated the DOS.

2) The Problem is;
   The calculated DOS remained the same, whatsoever I changed in case.inq.
I have also tried by changing the value of QSPLIT tag in case.inq file.
I have done this exercise for two different compositions, but the
results are the same ie. no change in the DOS.

Could you please suggest me whether my way of doing the calculation is
right or wrong? Where is the mistake? and what is the correct procedure to
implement these rotations?

I will be highly thankful to you for this.

Thanking you,
Your sincerely,

Shyam Lal Gupta
Research Scholar
Department of Physics
Indian Institute of Technology Kanpur
Kanpur, Uttar Pradesh
India - 208016.
Alternate Email: slgupta at iitk.ac.in
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