mirror of https://gitlab.com/QEF/q-e.git
70 lines
4.5 KiB
Plaintext
70 lines
4.5 KiB
Plaintext
diagonalizing the dynamical matrix ...
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q = 0.0000 0.0000 0.0000
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**************************************************************************
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freq ( 1) = -0.000000 [THz] = -0.000006 [cm-1]
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( -0.000000 0.000000 -0.000000 0.000000 -0.707107 0.000000 )
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( 0.000000 0.000000 0.000000 0.000000 -0.707107 0.000000 )
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freq ( 2) = -0.000000 [THz] = -0.000004 [cm-1]
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( -0.319551 0.000000 -0.630783 0.000000 0.000000 0.000000 )
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( -0.319551 0.000000 -0.630783 0.000000 0.000000 0.000000 )
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freq ( 3) = 0.000000 [THz] = 0.000011 [cm-1]
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( -0.630783 0.000000 0.319551 0.000000 -0.000000 0.000000 )
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( -0.630783 0.000000 0.319551 0.000000 0.000000 0.000000 )
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freq ( 4) = 21.168923 [THz] = 706.119271 [cm-1]
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( -0.000000 0.000000 -0.000000 0.000000 -0.989751 0.000000 )
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( 0.000000 0.000000 0.000000 0.000000 0.142805 0.000000 )
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freq ( 5) = 21.168923 [THz] = 706.119271 [cm-1]
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( -0.975930 0.000000 0.164827 0.000000 0.000000 0.000000 )
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( 0.140810 0.000000 -0.023782 0.000000 0.000000 0.000000 )
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freq ( 6) = 21.168923 [THz] = 706.119271 [cm-1]
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( 0.164827 0.000000 0.975930 0.000000 -0.000000 0.000000 )
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( -0.023782 0.000000 -0.140810 0.000000 0.000000 0.000000 )
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**************************************************************************
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diagonalizing the dynamical matrix ...
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q = 0.5000 -0.5000 0.5000
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**************************************************************************
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freq ( 1) = 4.309890 [THz] = 143.762449 [cm-1]
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( 0.410479 0.000000 0.500153 0.000000 0.089673 -0.000000 )
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( 0.475809 0.000000 0.579754 0.000000 0.103945 0.000000 )
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freq ( 2) = 4.309890 [THz] = 143.762449 [cm-1]
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( -0.340536 -0.000000 0.185218 -0.000000 0.525754 -0.000000 )
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( -0.394734 -0.000000 0.214696 -0.000000 0.609429 0.000000 )
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freq ( 3) = 8.977638 [THz] = 299.461753 [cm-1]
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( 0.115290 -0.000000 -0.115290 0.000000 0.115290 -0.000000 )
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( 0.565722 -0.000000 -0.565722 0.000000 0.565722 0.000000 )
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freq ( 4) = 20.112413 [THz] = 670.877893 [cm-1]
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( -0.398181 -0.000000 -0.810205 -0.000000 -0.412023 0.000000 )
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( 0.049563 0.000000 0.100849 0.000000 0.051286 0.000000 )
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freq ( 5) = 20.112413 [THz] = 670.877893 [cm-1]
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( -0.705654 -0.000000 -0.007992 -0.000000 0.697662 -0.000000 )
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( 0.087835 0.000000 0.000995 0.000000 -0.086840 0.000000 )
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freq ( 6) = 20.691182 [THz] = 690.183531 [cm-1]
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( 0.577101 -0.000000 -0.577101 0.000000 0.577101 -0.000000 )
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( -0.016969 0.000000 0.016969 -0.000000 -0.016969 0.000000 )
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**************************************************************************
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diagonalizing the dynamical matrix ...
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q = 0.0000 -1.0000 0.0000
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**************************************************************************
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freq ( 1) = 5.883062 [THz] = 196.237824 [cm-1]
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( 0.564020 0.000000 -0.000000 -0.000000 0.011193 0.000000 )
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( -0.016383 -0.000000 0.000000 0.000000 -0.825523 0.000000 )
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freq ( 2) = 5.883062 [THz] = 196.237824 [cm-1]
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( 0.011193 -0.000000 -0.000000 0.000000 -0.564020 -0.000000 )
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( 0.825523 0.000000 0.000000 0.000000 -0.016383 0.000000 )
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freq ( 3) = 9.368223 [THz] = 312.490279 [cm-1]
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( -0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 )
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( 0.000000 -0.000000 -1.000000 -0.000000 -0.000000 0.000000 )
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freq ( 4) = 18.557327 [THz] = 619.005806 [cm-1]
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( -0.978769 -0.000000 -0.000000 0.000000 -0.179964 -0.000000 )
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( -0.017741 -0.000000 0.000000 0.000000 -0.096485 0.000000 )
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freq ( 5) = 18.557327 [THz] = 619.005806 [cm-1]
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( 0.179964 -0.000000 -0.000000 0.000000 -0.978769 -0.000000 )
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( -0.096485 -0.000000 0.000000 0.000000 0.017741 0.000000 )
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freq ( 6) = 21.246070 [THz] = 708.692620 [cm-1]
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( 0.000000 -0.000000 1.000000 -0.000000 -0.000000 -0.000000 )
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( -0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 )
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**************************************************************************
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