21 # Number of phonon bands calculated 0 # Fixed parameter for phonons 4 # Number of Symmetry operations # In the following lines, one symmetry operation for each operation of the point group in the format: {R|t}-> R11,R12,...,R23,R33,t1,t2,t3 # and, the "spinor components" of the symmetry operation in the format Re(S11),Im(S11),Re(S12),...,Re(S22),Im(S22) (non relevant for phonons) 1 0 0 0 1 0 0 0 1 0.00000 0.00000 0.00000 1.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0 -1 0 0 -1 1 1 -1 0 0.00000 0.00000 0.00000 0.7071068 -0.7071068 0.0000000 0.0000000 -0.0000000 0.0000000 0.7071068 0.7071068 0 1 -1 1 0 -1 0 0 -1 0.00000 0.00000 0.00000 0.0000000 -1.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 -1 0 1 -1 0 0 -1 1 0 0.00000 0.00000 0.00000 0.7071068 0.7071068 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.7071068 -0.7071068 6 # Number of maximal k-vectors in the space group. In the next files introduce the components of the maximal k-vectors 0.0 0.0 0.0 0.5 0.5 0.5 0.25 0.25 0.25 -0.25 -0.25 -0.25 0.0 0.0 0.5 0.0 0.5 0.0 # Introduce one block of data for each maximal k-vec, as explained in the following lines. 4 # Number of symmetry operations of the little co-group of the 1st maximal k-vec. 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