[Wien] Finding optimized c/a ratio

[Mojtaba Zareii]

Hi dear wien2k' users
I have a problem with finding the optimized c/a ratio after
optimization for a hexagonal lattice.
I used option [2], i.e. vary c/a ratio with constant volume, during
optimization and could do it successfully. Once optimization was
finished, the a1, a2… a5 coefficients (final set of parameters for
fitting) were calculated by program (in "fit.log" file). But I don’t
know how to find the optimized c/a ratio using these results (a1 to a5
coefficients or E vs. deviation from exp. c/a ratio)
I search the mailing list to solve my problem, but I could not find a
clear reply. Only in one of them, it was cited that the "optimized c/a
ratio" can be obtained from dE/dx=0 (where x= deviation from exp. c/a
ratio). This suggestion seems to be useful, but it is not exact.
Is there any other solution to find the optimized c/a ratio? (I don't
want to use the 2Doptimized.job program because it is time consuming.)

Thank you
mojtaba