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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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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0.00006705 0.00000000 -0.00000000 0.00000000 -0.00000000 0.00000000
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-0.00000000 0.00000000 0.00006705 0.00000000 0.00000000 0.00000000
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-0.00000000 0.00000000 -0.00000000 0.00000000 0.00006705 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) = 0.171792 [THz] = 5.730349 [cm-1]
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( 0.530834 -0.000000 -0.731258 0.000000 0.428342 0.000000 )
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freq ( 2) = 0.171792 [THz] = 5.730349 [cm-1]
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( 0.831234 0.000000 0.547739 0.000000 -0.095038 0.000000 )
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freq ( 3) = 0.171792 [THz] = 5.730349 [cm-1]
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( 0.165122 0.000000 -0.406502 0.000000 -0.898605 0.000000 )
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**************************************************************************
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