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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Phonon dispersions for Al
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1 1 2 7.5000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
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1 'Al ' 24590.765652728711
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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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0.00006821 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
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0.00000000 0.00000000 0.00006821 0.00000000 0.00000000 0.00000000
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0.00000000 0.00000000 0.00000000 0.00000000 0.00006821 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) = 0.173268 [THz] = 5.779601 [cm-1]
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( 0.700232 0.000000 -0.235622 0.000000 -0.673912 0.000000 )
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freq ( 2) = 0.173268 [THz] = 5.779601 [cm-1]
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( 0.672733 -0.000000 0.533748 -0.000000 0.512391 0.000000 )
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freq ( 3) = 0.173268 [THz] = 5.779601 [cm-1]
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( 0.238969 0.000000 -0.812155 0.000000 0.532258 -0.000000 )
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**************************************************************************
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