14 28 # Number of electrons and number of computed bands,respectively 1 # Spin-orbit coupling. No: 0, Yes: 1 12 # 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) 1 0 0 0 1 0 0 0 1 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 -1 0 0 0 -1 0 0 0 -1 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 -1 0 0 0 0 -1 0 -1 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.866025 -0.500000 -0.866025 -0.500000 0.000000 0.000000 1 0 0 0 0 1 0 1 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.866025 -0.500000 -0.866025 -0.500000 0.000000 0.000000 0 0 1 1 0 0 0 1 0 0.000000 0.000000 0.000000 0.500000 -0.866025 0.000000 0.000000 0.000000 0.000000 0.500000 0.866025 0 0 -1 -1 0 0 0 -1 0 0.000000 0.000000 0.000000 0.500000 -0.866025 0.000000 0.000000 0.000000 0.000000 0.500000 0.866025 0 -1 0 -1 0 0 0 0 -1 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 1.000000 0.000000 0.000000 0 1 0 1 0 0 0 0 1 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 1.000000 0.000000 0.000000 0 1 0 0 0 1 1 0 0 0.000000 0.000000 0.000000 0.500000 0.866025 0.000000 0.000000 0.000000 0.000000 0.500000 -0.866025 0 -1 0 0 0 -1 -1 0 0 0.000000 0.000000 0.000000 0.500000 0.866025 0.000000 0.000000 0.000000 0.000000 0.500000 -0.866025 0 0 -1 0 -1 0 -1 0 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.866025 0.500000 -0.866025 0.500000 0.000000 0.000000 0 0 1 0 1 0 1 0 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.866025 0.500000 -0.866025 0.500000 0.000000 0.000000 4 # Number of maximal k-vectors in the space group. In the next files introduce the components of the maximal k-vectors 0.000000 0.000000 0.000000 0.500000 0.500000 0.500000 0.500000 0.500000 0.000000 0.000000 0.500000 0.000000 # Introduce one block of data for each maximal k-vec, as explained in the following lines. 12 # Number of symmetry operations of the little co-group of the 1st maximal k-vec. In the next line the position of each element of the point group in the list above. 1 2 3 4 5 6 7 8 9 10 11 12 # For each band introduce a row with the followind data: (1) 1+number of bands below, (2) dimension (degeneracy) of the band, # (3) energy and eigenvalues (real part, imaginary part) for each symmetry operation of the little group (listed above). 1 2 -7.491433 2.000000 0.000000 2.000000 0.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 1.000000 0.000000 0.000000 -0.000001 0.000000 -0.000001 1.000000 -0.000000 1.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 3 2 -6.767695 2.000000 0.000000 -2.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 1.000000 -0.000000 -1.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 1.000000 0.000000 -1.000000 -0.000000 0.000000 0.000000 0.000000 0.000000 5 2 -5.606111 2.000000 0.000000 2.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 1.000000 -0.000000 1.000000 -0.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000 7 2 -3.028161 2.000000 0.000000 -2.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 1.000000 -0.000000 -1.000000 0.000001 0.000000 -0.000000 0.000000 0.000001 1.000000 0.000001 -1.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 9 2 -2.557413 2.000000 0.000000 2.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 1.000000 -0.000000 1.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 1.000000 0.000000 1.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 11 2 3.075677 2.000000 0.000000 -2.000000 0.000000 0.000000 0.000000 0.000000 0.000000 1.000000 -0.000000 -1.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 1.000000 0.000000 -1.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 13 2 3.092947 2.000000 0.000000 2.000000 0.000000 0.000000 0.000001 0.000000 0.000001 1.000000 0.000001 1.000000 0.000001 0.000000 -0.000000 0.000000 -0.000000 1.000000 -0.000000 1.000000 -0.000000 0.000000 0.000001 0.000000 0.000001 15 2 3.940866 2.000000 0.000000 2.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 1.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000 1.000000 -0.000000 1.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 17 2 4.195248 2.000000 0.000000 -2.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 1.000000 0.000000 -1.000000 -0.000000 0.000000 -0.000001 0.000000 0.000001 1.000000 -0.000000 -1.000000 0.000000 0.000000 -0.000001 0.000000 0.000001 19 2 4.436488 2.000000 0.000000 2.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -2.000000 0.000000 -2.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -2.000000 0.000000 -2.000000 0.000000 0.000000 0.000000 0.000000 0.000000 21 2 4.547932 2.000000 0.000000 -2.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -2.000000 0.000000 2.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -2.000000 0.000000 2.000000 0.000000 0.000000 0.000000 0.000000 0.000000 23 2 4.614443 2.000000 0.000000 -2.000000 0.000000 0.000000 -0.000001 0.000000 0.000001 1.000000 -0.000000 -1.000000 0.000000 0.000000 0.000001 0.000000 -0.000001 1.000000 0.000000 -1.000000 -0.000000 0.000000 0.000001 0.000000 -0.000000 25 2 5.226490 2.000000 0.000000 -2.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -2.000000 0.000000 2.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -2.000000 0.000000 2.000000 0.000000 0.000000 0.000000 0.000000 0.000000 27 2 5.319281 2.000000 0.000000 2.000000 0.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 1.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 1.000000 -0.000000 1.000000 -0.000000 0.000000 0.000000 0.000000 0.000000 12 1 2 3 4 5 6 7 8 9 10 11 12 1 2 -7.317972 2.000000 0.000000 2.000000 0.000000 0.000000 -0.000001 0.000000 -0.000001 1.000000 -0.000001 1.000000 -0.000001 0.000000 0.000000 0.000000 0.000000 1.000000 0.000001 1.000000 0.000001 0.000000 -0.000001 0.000000 -0.000001 3 2 -7.117394 2.000000 0.000000 -2.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 1.000000 0.000000 -1.000000 0.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 -1.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 5 2 -5.107413 2.000000 0.000000 2.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 1.000000 -0.000001 1.000000 -0.000001 0.000000 0.000000 0.000000 0.000000 1.000000 0.000001 1.000000 0.000001 0.000000 -0.000000 0.000000 -0.000000 7 2 -3.903652 2.000000 0.000000 -2.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 1.000000 0.000000 -1.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 1.000000 -0.000000 -1.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 9 2 -1.909554 2.000000 0.000000 2.000000 0.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 1.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 1.000000 0.000000 1.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 11 2 2.589191 2.000000 0.000000 -2.000000 0.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 -1.000000 0.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 -1.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 13 2 3.641618 2.000000 0.000000 2.000000 0.000000 0.000000 0.000000 0.000000 0.000000 1.000000 -0.000000 1.000000 -0.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000 15 2 3.769917 2.000000 0.000000 -2.000000 0.000000 0.000000 -0.000001 0.000000 0.000001 1.000000 0.000001 -1.000000 -0.000001 0.000000 -0.000001 0.000000 0.000001 1.000000 -0.000001 -1.000000 0.000001 0.000000 -0.000002 0.000000 0.000002 17 2 4.018921 2.000000 0.000000 -2.000000 0.000000 0.000000 0.000001 0.000000 -0.000001 1.000000 -0.000000 -1.000000 0.000001 0.000000 -0.000001 0.000000 0.000002 1.000000 0.000001 -1.000000 -0.000000 0.000000 -0.000001 0.000000 0.000001 19 2 4.363045 2.000000 0.000000 -2.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -2.000000 0.000000 2.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -2.000000 0.000000 2.000000 0.000000 0.000000 0.000000 0.000000 0.000000 21 2 4.681287 2.000000 0.000000 -2.000000 0.000000 0.000000 -0.000001 0.000000 0.000001 1.000000 0.000000 -1.000000 0.000000 0.000000 0.000001 0.000000 -0.000001 1.000000 0.000000 -1.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 23 2 4.806449 2.000000 0.000000 2.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -2.000000 0.000000 -2.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -2.000000 0.000000 -2.000000 0.000000 0.000000 0.000000 0.000000 0.000000 25 2 4.953153 2.000000 0.000000 -2.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -2.000000 0.000000 2.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -2.000000 0.000000 2.000000 0.000000 0.000000 0.000000 0.000000 0.000000 27 2 5.545441 2.000000 0.000000 2.000000 0.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000 4 1 2 7 8 1 2 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