[Wien] Problem in using 2Doptimization

[vijaykumar gudelli]

Dear Prof. Peter Blaha and Wien2k users,

I'm trying to do c/a and volume optimization for a Tetragonal system using
2Dopitimization (I am running wien2k 11.1 version). For Volume
optimization and for c/a optimization I have tried with default values
(-10% to 10%) and   (-4% to 4%) respectively. I also tried with other
values for volume (-15%, -12%, -10%, -7%, -5%, 0, 5%, 7%, 10%, 12%,
15%) and for c/a (-4%, -2%, -1%, 0, 1%, 2%, 4%) optimization. But the
plot between the c/a and Volume, the data(not even single value)
points are not fitting on the plot (deviating from the straight line).
I'm doing a spin-polarized calculation with necessary editing in the
2Doptimization.job (uncommented the -dstart -up/dn and runsp_lapw and
commented the run_lapw lines). But when I'm doing for other system
without spin-polarization I'm getting maximum of the data points are
fitting on to the plot.

Please can anybody help that where I'm going wrong.
-- 
-- *Regards*


VIJAY KUMAR GUDELLI