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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0.00006736 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000
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0.00000000 0.00000000 0.00006736 0.00000000 0.00000000 0.00000000
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-0.00000000 0.00000000 0.00000000 0.00000000 0.00006736 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) = 0.172187 [THz] = 5.743551 [cm-1]
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( 0.662309 0.000000 -0.748687 0.000000 -0.028554 0.000000 )
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freq ( 2) = 0.172187 [THz] = 5.743551 [cm-1]
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( 0.739949 0.000000 0.659609 0.000000 -0.131877 0.000000 )
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freq ( 3) = 0.172187 [THz] = 5.743551 [cm-1]
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( 0.117569 0.000000 0.066214 0.000000 0.990855 0.000000 )
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**************************************************************************
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