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quantum-espresso/PHonon/examples/tetra_example/reference/al.dyn8

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Dynamical matrix file
1 1 2 7.6282169 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
1 'Al ' 24590.765652728711
1 1 0.0000000000 0.0000000000 0.0000000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 -0.875000000 0.125000000 )
1 1
0.08509251 0.00000000 0.00717265 0.00000000 -0.00889560 0.00000000
0.00717265 0.00000000 0.20226243 0.00000000 -0.00717265 0.00000000
-0.00889560 0.00000000 -0.00717265 0.00000000 0.08509251 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 0.125000000 -0.875000000 )
1 1
0.08509251 0.00000000 -0.00889560 0.00000000 0.00717265 0.00000000
-0.00889560 0.00000000 0.08509251 0.00000000 -0.00717265 0.00000000
0.00717265 0.00000000 -0.00717265 0.00000000 0.20226243 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.875000000 0.125000000 0.125000000 )
1 1
0.20226243 0.00000000 0.00717265 0.00000000 0.00717265 0.00000000
0.00717265 0.00000000 0.08509251 0.00000000 0.00889560 0.00000000
0.00717265 0.00000000 0.00889560 0.00000000 0.08509251 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.875000000 0.125000000 0.125000000 )
1 1
0.20226243 0.00000000 -0.00717265 0.00000000 -0.00717265 0.00000000
-0.00717265 0.00000000 0.08509251 0.00000000 0.00889560 0.00000000
-0.00717265 0.00000000 0.00889560 0.00000000 0.08509251 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.875000000 -0.125000000 0.125000000 )
1 1
0.20226243 0.00000000 -0.00717265 0.00000000 0.00717265 0.00000000
-0.00717265 0.00000000 0.08509251 0.00000000 -0.00889560 0.00000000
0.00717265 0.00000000 -0.00889560 0.00000000 0.08509251 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 0.875000000 -0.125000000 )
1 1
0.08509251 0.00000000 0.00717265 0.00000000 -0.00889560 0.00000000
0.00717265 0.00000000 0.20226243 0.00000000 -0.00717265 0.00000000
-0.00889560 0.00000000 -0.00717265 0.00000000 0.08509251 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 0.875000000 0.125000000 )
1 1
0.08509251 0.00000000 -0.00717265 0.00000000 -0.00889560 0.00000000
-0.00717265 0.00000000 0.20226243 0.00000000 0.00717265 0.00000000
-0.00889560 0.00000000 0.00717265 0.00000000 0.08509251 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 -0.875000000 0.125000000 )
1 1
0.08509251 0.00000000 -0.00717265 0.00000000 0.00889560 0.00000000
-0.00717265 0.00000000 0.20226243 0.00000000 -0.00717265 0.00000000
0.00889560 0.00000000 -0.00717265 0.00000000 0.08509251 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 -0.875000000 -0.125000000 )
1 1
0.08509251 0.00000000 0.00717265 0.00000000 0.00889560 0.00000000
0.00717265 0.00000000 0.20226243 0.00000000 0.00717265 0.00000000
0.00889560 0.00000000 0.00717265 0.00000000 0.08509251 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 0.125000000 -0.875000000 )
1 1
0.08509251 0.00000000 0.00889560 0.00000000 -0.00717265 0.00000000
0.00889560 0.00000000 0.08509251 0.00000000 -0.00717265 0.00000000
-0.00717265 0.00000000 -0.00717265 0.00000000 0.20226243 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 -0.125000000 0.875000000 )
1 1
0.08509251 0.00000000 -0.00889560 0.00000000 0.00717265 0.00000000
-0.00889560 0.00000000 0.08509251 0.00000000 -0.00717265 0.00000000
0.00717265 0.00000000 -0.00717265 0.00000000 0.20226243 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 0.125000000 0.875000000 )
1 1
0.08509251 0.00000000 -0.00889560 0.00000000 -0.00717265 0.00000000
-0.00889560 0.00000000 0.08509251 0.00000000 0.00717265 0.00000000
-0.00717265 0.00000000 0.00717265 0.00000000 0.20226243 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 -0.125000000 -0.875000000 )
1 1
0.08509251 0.00000000 0.00889560 0.00000000 0.00717265 0.00000000
0.00889560 0.00000000 0.08509251 0.00000000 0.00717265 0.00000000
0.00717265 0.00000000 0.00717265 0.00000000 0.20226243 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.875000000 0.125000000 -0.125000000 )
1 1
0.20226243 0.00000000 -0.00717265 0.00000000 0.00717265 0.00000000
-0.00717265 0.00000000 0.08509251 0.00000000 -0.00889560 0.00000000
0.00717265 0.00000000 -0.00889560 0.00000000 0.08509251 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 0.875000000 0.125000000 )
1 1
0.08509251 0.00000000 0.00717265 0.00000000 0.00889560 0.00000000
0.00717265 0.00000000 0.20226243 0.00000000 0.00717265 0.00000000
0.00889560 0.00000000 0.00717265 0.00000000 0.08509251 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.875000000 -0.125000000 0.125000000 )
1 1
0.20226243 0.00000000 0.00717265 0.00000000 -0.00717265 0.00000000
0.00717265 0.00000000 0.08509251 0.00000000 -0.00889560 0.00000000
-0.00717265 0.00000000 -0.00889560 0.00000000 0.08509251 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.875000000 -0.125000000 -0.125000000 )
1 1
0.20226243 0.00000000 -0.00717265 0.00000000 -0.00717265 0.00000000
-0.00717265 0.00000000 0.08509251 0.00000000 0.00889560 0.00000000
-0.00717265 0.00000000 0.00889560 0.00000000 0.08509251 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 -0.125000000 -0.875000000 )
1 1
0.08509251 0.00000000 -0.00889560 0.00000000 -0.00717265 0.00000000
-0.00889560 0.00000000 0.08509251 0.00000000 0.00717265 0.00000000
-0.00717265 0.00000000 0.00717265 0.00000000 0.20226243 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 0.125000000 0.875000000 )
1 1
0.08509251 0.00000000 0.00889560 0.00000000 0.00717265 0.00000000
0.00889560 0.00000000 0.08509251 0.00000000 0.00717265 0.00000000
0.00717265 0.00000000 0.00717265 0.00000000 0.20226243 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 -0.875000000 -0.125000000 )
1 1
0.08509251 0.00000000 -0.00717265 0.00000000 -0.00889560 0.00000000
-0.00717265 0.00000000 0.20226243 0.00000000 0.00717265 0.00000000
-0.00889560 0.00000000 0.00717265 0.00000000 0.08509251 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 -0.125000000 0.875000000 )
1 1
0.08509251 0.00000000 0.00889560 0.00000000 -0.00717265 0.00000000
0.00889560 0.00000000 0.08509251 0.00000000 -0.00717265 0.00000000
-0.00717265 0.00000000 -0.00717265 0.00000000 0.20226243 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 0.875000000 -0.125000000 )
1 1
0.08509251 0.00000000 -0.00717265 0.00000000 0.00889560 0.00000000
-0.00717265 0.00000000 0.20226243 0.00000000 -0.00717265 0.00000000
0.00889560 0.00000000 -0.00717265 0.00000000 0.08509251 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.875000000 -0.125000000 -0.125000000 )
1 1
0.20226243 0.00000000 0.00717265 0.00000000 0.00717265 0.00000000
0.00717265 0.00000000 0.08509251 0.00000000 0.00889560 0.00000000
0.00717265 0.00000000 0.00889560 0.00000000 0.08509251 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.875000000 0.125000000 -0.125000000 )
1 1
0.20226243 0.00000000 0.00717265 0.00000000 -0.00717265 0.00000000
0.00717265 0.00000000 0.08509251 0.00000000 -0.00889560 0.00000000
-0.00717265 0.00000000 -0.00889560 0.00000000 0.08509251 0.00000000
Diagonalizing the dynamical matrix
q = ( -0.125000000 -0.875000000 0.125000000 )
**************************************************************************
freq ( 1) = 5.791055 [THz] = 193.168794 [cm-1]
( 0.707107 0.000000 -0.000000 0.000000 0.707107 0.000000 )
freq ( 2) = 6.399379 [THz] = 213.460320 [cm-1]
( 0.704077 0.000000 -0.092479 0.000000 -0.704077 0.000000 )
freq ( 3) = 9.457051 [THz] = 315.453256 [cm-1]
( 0.065392 -0.000000 0.995715 0.000000 -0.065392 0.000000 )
**************************************************************************
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