[Wien] optimisation of a alloyed structure

[fatima DFT]

Dear Wien2k users,

This in connection to my previous query. I alloyed a structure. After
alloying the lattice parameter has changes that was as I expected.
But the change of lattice parameter are from a=b=c to a, b=c.

I see in the optimization method, the x optimise is applicable for a=b, c
type structure only.
So colud you please suggest me how to optimize my new structure having a,
b=c.

The original structure has:
F                            3 225_Fm-3m
             RELA
 15.750412 15.750412 15.750412 90.000000 90.000000 90.000000

while after alloying I get:
Title

B                           5 44 Imm2
             RELA
 15.204093 10.286451 10.286451 90.000000 90.000000 90.000000


Warm regards
Fatima
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