mirror of https://gitlab.com/QEF/q-e.git
28 lines
1.2 KiB
Plaintext
28 lines
1.2 KiB
Plaintext
Dynamical matrix file
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--
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1 1 2 9.2700000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
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1 'Pb ' 188851.24696980685
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1 1 0.0000000000 0.0000000000 0.0000000000
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Dynamical Matrix in cartesian axes
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q = ( 0.000000000 0.000000000 0.000000000 )
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1 1
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0.00329582 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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0.00000000 0.00000000 0.00329582 0.00000000 0.00000000 0.00000000
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0.00000000 0.00000000 0.00000000 0.00000000 0.00329582 0.00000000
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Diagonalizing the dynamical matrix
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q = ( 0.000000000 0.000000000 0.000000000 )
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**************************************************************************
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freq ( 1) = 0.434607 [THz] = 14.496940 [cm-1]
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( 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 )
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freq ( 2) = 0.434607 [THz] = 14.496940 [cm-1]
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( -0.877289 0.000000 0.000000 0.000000 -0.479963 0.000000 )
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freq ( 3) = 0.434607 [THz] = 14.496940 [cm-1]
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( -0.479963 0.000000 0.000000 0.000000 0.877289 0.000000 )
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**************************************************************************
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