[Wien] Regarding lattice constant missing in volume optimization curve data and also in output file of tetragonal lattice

[Bhanu Prakash]

D*ear Prof. Blaha and Wien2k users,*

I am currently working with Wien2k_21.1 version. I would like to get
some suggestions for doing optimization of lattice parameters for a
tetragonal alloy .The experimental lattice parameter for the alloy is
*a=b=**5**.**426** A ,c=**10.816** A**ng**.*
I have constructed the structure file with the space group I-4 (space
group number:82) 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 c/a optimization.I obtained a fairly good E Vs c/a curve.
But I am facing some problems.
Now my problems are

1) I did not get the optimized lattice parameters (l*attice constant
after the optimization process)* with varying the c/a ratio with
constant volume.

2) In my case.outputeos file, I did not get a lattice constant value.
I also used 2Doptimizaton process but result is same.
*Here**Also missing the lattice constant value in fourth line of
case.outputeos file.(blank space ##)*
Equation of state: EOS2 (PRB52,8064)        info           2
 a,b,c,d   2611383.290602 -38111329.012348 -59534474.9093151774906515.364957
 V0,B(GPa),BP,E0      1112.1797  12436214.1735         3.3770
 #####################################################################
 Equation of state: Murnaghan                info           7
 E=E0+[B*V/BP*(1/(BP-1)*(V0/V)**BP +1)-B*V0/(BP-1)]/14703.6
 Pressure=B/BP*((V0/V)**BP -1)
 V0,B(GPa),BP,E0      1110.7646       100.0000         5.0000     -25764.476906
         vol       energy         de(EOS2)      de(Murnaghan)  Pressure(GPa)
    1116.6428   -25764.478527     0.001765     0.001726         -0.521
    1116.6429   -25764.478351     0.001993     0.001550         -0.521
    1116.6427   -25764.478004     0.001007     0.001203         -0.521
    1116.6427   -25764.477467     0.000502     0.000666         -0.521
    1116.6428   -25764.475907    -0.000990    -0.000894         -0.521
    1116.6429   -25764.473677    -0.002749    -0.003124         -0.521
    1116.6429   -25764.478544     0.001950     0.001743         -0.521
    1116.6427   -25764.478367     0.001302     0.001566         -0.521
    1116.6428   -25764.478017     0.001390     0.001216         -0.521
    1116.6427   -25764.477497     0.000533     0.000696         -0.521
    1116.6427   -25764.476816    -0.000148     0.000015         -0.521
    1116.6427   -25764.474912    -0.002287    -0.001889         -0.521
    1116.6429   -25764.472327    -0.004267    -0.004474         -0.521
                  Sigma:          0.001923     0.001939

Please give your valuable suggestions. How to get lattice constant
from optimization process.

Thanks & Regards
Bhanu
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