[Wien] symmetry operation
Dong YuHui
dongyh at ihep.ac.cn
Mon Jul 5 04:04:35 CEST 2004
Dear WIEN user,
I want to do some calculation for the phase transition from Wurzite to
Cubic. It is better to built a "supercell" with the space group of the
common subgroup of hex. and cubic, when using GGA. But WIEN2k always find
the symmetric operation as the hex. or cubic, not the ones of my subgroup
and make errors in calculation.
How to overcome this problem?
Yuhui Dong
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