Dear Amir,
The matrices for symmetry operations are meant so that
you multiply the symmetry matrix and the column vector
of your direct coordinates and you get a new column vector
of new coordinates of a point that is symmetrical to the original
point. Within your unit cell you can use x supercell and
specify only 1 x 1 x 1 supercell with zero shift and zero vacuum
(choose P for lattice).
HTH
Tomas
"
Dear Wien2k users
<br>
How can i generate equivalent positions for
a atom or different atoms using symmetry operation at the end of "case.struct"
file?
<br>
Please guide me.
With best,
Amir
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