I do not know whether your structure was right or not unless you provide the
data base of MoSi. However, you can determine the strcutre by CELL_PARAMETER
and ATOMIC_POSITIONS, which can be obtained by the utility, spacegroup, in
ELK/Exciting code according ICSD.
--
GAO Zhe
CMC Lab, MSE, SNU, S
Respected sir,
my compound is molybdenum disilicide .when i am putting
ibrav no. 7 correct structure is not forming when i am giving 6 structure is
same as given on crystal structure site but MoSi2 is bct for which ibrav no.
is 7
sir,guide me about this and te
