[Wien] Tetragonal lattice parameters optimization

[Midhunlal Pv]

Dear Prof.Blaha and Wien2k users,

I would like to get some suggestions for doing optimization of lattice
parameters for a tetragonal Heusler alloy .The experimental lattice
parameter for the alloy is

a=b=4.37 A ,c=6.05 A.

 I have constructed the structure file with the space group I-4m2 (space
group number:119) and the above mentioned experimental lattice
parameters.After doing the initialization with 1000 k points energy
minimization has been done by varying the volume -10%,-5%,0%,5% and 10 %
with constant a,b and c ratio.I obtained a fairly good E Vs V curve.Now my
doubts are

1) How do i get the optimized a,b and c values from the E Vs V
optimization? which file will have the information  ?

    Suppose i get the optimized parameters i am planning to do the energy
minimization again using this optimized lattice parameters and varying the
c/a ratio with
    constant volume.
2) is there anything wrong in my procedure to obtain the optimized a,b,c
values ? if so  please correct me in doing the calculation .


Please give your valuable suggestions.

Thanking you
Midhunlal.P.V
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