[Wien] Input of structure of random alloy in Wien2k

[Ghosh SUDDHASATTWA]

Dear Wien2k users, 

I have generated a structure of a random alloy of Co-Fe of a fixed
composition. I want to input the structure of this alloy in Wien2k with the
same lattice vectors and the atomic positions given below 

 

Can in any way we can do it in Wien2k? 

It is suggested that VASP can do it but I want to make sure how it could be
possible in Wien2k.  

 

Lattice parameters 

4.530000 0.000000 0.000000

0.000000 4.530000 0.000000

0.000000 0.000000 4.530000

-1.000000 0.000000 1.000000 lattice vector

-1.000000 1.000000 -1.000000 lattice vector

-1.000000 -2.000000 -1.000000 lattice vector 

 

Atomic positions 

 

-1.500000 0.500000 -0.500000 Co

-2.000000 -1.000000 -1.000000 Fe

-1.500000 -0.500000 -0.500000 Fe

-1.000000 0.000000 0.000000 Co

-1.500000 -1.500000 -0.500000 Co

-2.000000 0.000000 -1.000000 Co

-2.500000 -0.500000 -0.500000 Fe

-2.000000 0.000000 0.000000 Co

-2.500000 -1.500000 -0.500000 Co

-2.000000 -1.000000 0.000000 Co

-1.500000 -0.500000 0.500000 Co

-3.000000 -1.000000 -1.000000 Co

 

Any suggestions would be very helpful.

Regards 

Suddhasattwa 

 

 

 

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