31 lines
885 B
Fortran
31 lines
885 B
Fortran
C-----------------------------------------------------------------------
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C Space group routine setup of the r-matrix
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C-----------------------------------------------------------------------
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SUBROUTINE SGRMAT (RT,A,B,C,D,E,F,G,H,O)
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INTEGER A,B,C,D,E,F,G,H,O
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DIMENSION RT(5,4)
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RT(1,1) = A
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RT(1,2) = B
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RT(1,3) = C
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RT(1,4) = 0.0
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RT(2,1) = D
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RT(2,2) = E
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RT(2,3) = F
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RT(2,4) = 0.0
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RT(3,1) = G
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RT(3,2) = H
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RT(3,3) = O
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RT(3,4) = 0.0
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RT(4,1) = 0.0
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RT(4,2) = 0.0
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RT(4,3) = 0.0
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RT(4,4) = 1.0
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RT(5,1) = 81*(2*RT(1,1) + 3*RT(1,2) + 4*RT(1,3)) +
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$ 9*(2*RT(2,1) + 3*RT(2,2) + 4*RT(2,3)) +
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$ 2*RT(3,1) + 3*RT(3,2) + 4*RT(3,3)
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RT(5,2) = 1728*RT(1,4) + 144*RT(2,4) + 12*RT(3,4)
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RT(5,3) = 10.0
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RT(5,4) = 20.
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RETURN
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END
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