Dear Wien2k Users,
I want to run sm metal in hexagonal axes, as Prof. Cottenier said, the file
struct should be as below;
H LATTICE,NONEQUIV.ATOMS 2 166 R-3m
MODE OF CALC=RELA unit=bohr 6.856115 6.856115 49.573186 90.00
90.00120.00
ATOM -1: X=0. Y=0.
Dear Prof. StefaanCottenier,
Thanks for your nice guide
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Dear Wien2K Users,
I want to run the sm-element in hexagonal symmetry. Sm-element is a
rhombohedral structure with 166(R-3m space group) and a=8.966A and alpha=23.13
and the atomic position are (0 0 0) (2/9 2/9 2/9) (7/9 7/9 7/9).
I know, In WIEN2K, when we want to run rhombohedral structure, we
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