Hi to all, I wish to define the .fdf file for YbH3 in cubic fcc phase. How to define the postions of Yb and three hydrogen atoms for cubic fcc lattice ?
In hexagonal phase, we used 24 atoms in total, Is it necessary to consider all
these 24 positions to be define in fcc phase ?
Kindly help
Thanks,
Subhra Kulshrestha
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