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corrected symmetry operations for hex.

This commit is contained in:
Christoph Kords 2010-04-12 08:04:26 +00:00
parent fc3f35cf3b
commit adf6206b71
1 changed files with 4 additions and 4 deletions
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@ -96,10 +96,10 @@ real(pReal), dimension(4,36), parameter :: symOperations = &
1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal, & ! hexagonal symmetry operations 1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal, & ! hexagonal symmetry operations
0.0_pReal, 1.0_pReal, 0.0_pReal, 0.0_pReal, & ! 2-fold symmetry 0.0_pReal, 1.0_pReal, 0.0_pReal, 0.0_pReal, & ! 2-fold symmetry
0.0_pReal, 0.0_pReal, 1.0_pReal, 0.0_pReal, & 0.0_pReal, 0.0_pReal, 1.0_pReal, 0.0_pReal, &
0.0_pReal, 0.5773502691896259_pReal, 1.154700538379252_pReal, 0.0_pReal, & 0.0_pReal, 0.5_pReal, 0.866025403784439_pReal, 0.0_pReal, &
0.0_pReal, -0.5773502691896259_pReal, 1.154700538379252_pReal, 0.0_pReal, & 0.0_pReal, -0.5_pReal, 0.866025403784439_pReal, 0.0_pReal, &
0.0_pReal, 1.154700538379252_pReal, 0.5773502691896259_pReal, 0.0_pReal, & 0.0_pReal, 0.866025403784439_pReal, 0.5_pReal, 0.0_pReal, &
0.0_pReal, -1.154700538379252_pReal, 0.5773502691896259_pReal, 0.0_pReal, & 0.0_pReal, -0.866025403784439_pReal, 0.5_pReal, 0.0_pReal, &
0.866025403784439_pReal, 0.0_pReal, 0.0_pReal, 0.5_pReal, & ! 6-fold symmetry 0.866025403784439_pReal, 0.0_pReal, 0.0_pReal, 0.5_pReal, & ! 6-fold symmetry
-0.866025403784439_pReal, 0.0_pReal, 0.0_pReal, 0.5_pReal, & -0.866025403784439_pReal, 0.0_pReal, 0.0_pReal, 0.5_pReal, &
0.5_pReal, 0.0_pReal, 0.0_pReal, 0.866025403784439_pReal, & 0.5_pReal, 0.0_pReal, 0.0_pReal, 0.866025403784439_pReal, &