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quantum-espresso/PHonon/examples/tetra_example/reference/al.dyn4

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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 -0.125000000 0.375000000 )
1 1
0.03568088 0.00000000 -0.00763788 0.00000000 0.01793248 0.00000000
-0.00763788 0.00000000 0.03568088 0.00000000 -0.01793248 0.00000000
0.01793248 0.00000000 -0.01793248 0.00000000 0.07871251 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.375000000 -0.125000000 -0.125000000 )
1 1
0.07871251 0.00000000 0.01793248 0.00000000 0.01793248 0.00000000
0.01793248 0.00000000 0.03568088 0.00000000 0.00763788 0.00000000
0.01793248 0.00000000 0.00763788 0.00000000 0.03568088 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 0.375000000 -0.125000000 )
1 1
0.03568088 0.00000000 0.01793248 0.00000000 -0.00763788 0.00000000
0.01793248 0.00000000 0.07871251 0.00000000 -0.01793248 0.00000000
-0.00763788 0.00000000 -0.01793248 0.00000000 0.03568088 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 -0.125000000 0.375000000 )
1 1
0.03568088 0.00000000 0.00763788 0.00000000 -0.01793248 0.00000000
0.00763788 0.00000000 0.03568088 0.00000000 -0.01793248 0.00000000
-0.01793248 0.00000000 -0.01793248 0.00000000 0.07871251 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 0.125000000 0.375000000 )
1 1
0.03568088 0.00000000 0.00763788 0.00000000 0.01793248 0.00000000
0.00763788 0.00000000 0.03568088 0.00000000 0.01793248 0.00000000
0.01793248 0.00000000 0.01793248 0.00000000 0.07871251 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.375000000 0.125000000 0.125000000 )
1 1
0.07871251 0.00000000 0.01793248 0.00000000 0.01793248 0.00000000
0.01793248 0.00000000 0.03568088 0.00000000 0.00763788 0.00000000
0.01793248 0.00000000 0.00763788 0.00000000 0.03568088 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.375000000 0.125000000 -0.125000000 )
1 1
0.07871251 0.00000000 -0.01793248 0.00000000 0.01793248 0.00000000
-0.01793248 0.00000000 0.03568088 0.00000000 -0.00763788 0.00000000
0.01793248 0.00000000 -0.00763788 0.00000000 0.03568088 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.375000000 -0.125000000 -0.125000000 )
1 1
0.07871251 0.00000000 -0.01793248 0.00000000 -0.01793248 0.00000000
-0.01793248 0.00000000 0.03568088 0.00000000 0.00763788 0.00000000
-0.01793248 0.00000000 0.00763788 0.00000000 0.03568088 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.375000000 -0.125000000 0.125000000 )
1 1
0.07871251 0.00000000 0.01793248 0.00000000 -0.01793248 0.00000000
0.01793248 0.00000000 0.03568088 0.00000000 -0.00763788 0.00000000
-0.01793248 0.00000000 -0.00763788 0.00000000 0.03568088 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 0.375000000 -0.125000000 )
1 1
0.03568088 0.00000000 -0.01793248 0.00000000 0.00763788 0.00000000
-0.01793248 0.00000000 0.07871251 0.00000000 -0.01793248 0.00000000
0.00763788 0.00000000 -0.01793248 0.00000000 0.03568088 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 -0.375000000 0.125000000 )
1 1
0.03568088 0.00000000 0.01793248 0.00000000 -0.00763788 0.00000000
0.01793248 0.00000000 0.07871251 0.00000000 -0.01793248 0.00000000
-0.00763788 0.00000000 -0.01793248 0.00000000 0.03568088 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 0.375000000 0.125000000 )
1 1
0.03568088 0.00000000 0.01793248 0.00000000 0.00763788 0.00000000
0.01793248 0.00000000 0.07871251 0.00000000 0.01793248 0.00000000
0.00763788 0.00000000 0.01793248 0.00000000 0.03568088 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 -0.375000000 -0.125000000 )
1 1
0.03568088 0.00000000 -0.01793248 0.00000000 -0.00763788 0.00000000
-0.01793248 0.00000000 0.07871251 0.00000000 0.01793248 0.00000000
-0.00763788 0.00000000 0.01793248 0.00000000 0.03568088 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 0.375000000 0.125000000 )
1 1
0.03568088 0.00000000 -0.01793248 0.00000000 -0.00763788 0.00000000
-0.01793248 0.00000000 0.07871251 0.00000000 0.01793248 0.00000000
-0.00763788 0.00000000 0.01793248 0.00000000 0.03568088 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 0.125000000 0.375000000 )
1 1
0.03568088 0.00000000 -0.00763788 0.00000000 -0.01793248 0.00000000
-0.00763788 0.00000000 0.03568088 0.00000000 0.01793248 0.00000000
-0.01793248 0.00000000 0.01793248 0.00000000 0.07871251 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 -0.375000000 -0.125000000 )
1 1
0.03568088 0.00000000 0.01793248 0.00000000 0.00763788 0.00000000
0.01793248 0.00000000 0.07871251 0.00000000 0.01793248 0.00000000
0.00763788 0.00000000 0.01793248 0.00000000 0.03568088 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 -0.375000000 0.125000000 )
1 1
0.03568088 0.00000000 -0.01793248 0.00000000 0.00763788 0.00000000
-0.01793248 0.00000000 0.07871251 0.00000000 -0.01793248 0.00000000
0.00763788 0.00000000 -0.01793248 0.00000000 0.03568088 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.375000000 0.125000000 -0.125000000 )
1 1
0.07871251 0.00000000 0.01793248 0.00000000 -0.01793248 0.00000000
0.01793248 0.00000000 0.03568088 0.00000000 -0.00763788 0.00000000
-0.01793248 0.00000000 -0.00763788 0.00000000 0.03568088 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.375000000 -0.125000000 0.125000000 )
1 1
0.07871251 0.00000000 -0.01793248 0.00000000 0.01793248 0.00000000
-0.01793248 0.00000000 0.03568088 0.00000000 -0.00763788 0.00000000
0.01793248 0.00000000 -0.00763788 0.00000000 0.03568088 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 -0.125000000 -0.375000000 )
1 1
0.03568088 0.00000000 0.00763788 0.00000000 0.01793248 0.00000000
0.00763788 0.00000000 0.03568088 0.00000000 0.01793248 0.00000000
0.01793248 0.00000000 0.01793248 0.00000000 0.07871251 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.375000000 0.125000000 0.125000000 )
1 1
0.07871251 0.00000000 -0.01793248 0.00000000 -0.01793248 0.00000000
-0.01793248 0.00000000 0.03568088 0.00000000 0.00763788 0.00000000
-0.01793248 0.00000000 0.00763788 0.00000000 0.03568088 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 0.125000000 -0.375000000 )
1 1
0.03568088 0.00000000 -0.00763788 0.00000000 0.01793248 0.00000000
-0.00763788 0.00000000 0.03568088 0.00000000 -0.01793248 0.00000000
0.01793248 0.00000000 -0.01793248 0.00000000 0.07871251 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 -0.125000000 -0.375000000 )
1 1
0.03568088 0.00000000 -0.00763788 0.00000000 -0.01793248 0.00000000
-0.00763788 0.00000000 0.03568088 0.00000000 0.01793248 0.00000000
-0.01793248 0.00000000 0.01793248 0.00000000 0.07871251 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 0.125000000 -0.375000000 )
1 1
0.03568088 0.00000000 0.00763788 0.00000000 -0.01793248 0.00000000
0.00763788 0.00000000 0.03568088 0.00000000 -0.01793248 0.00000000
-0.01793248 0.00000000 -0.01793248 0.00000000 0.07871251 0.00000000
Diagonalizing the dynamical matrix
q = ( 0.125000000 -0.125000000 0.375000000 )
**************************************************************************
freq ( 1) = 3.513187 [THz] = 117.187311 [cm-1]
( 0.707107 0.000000 0.707107 0.000000 0.000000 0.000000 )
freq ( 2) = 3.639218 [THz] = 121.391240 [cm-1]
( -0.626949 0.000000 0.626949 0.000000 0.462461 0.000000 )
freq ( 3) = 6.361238 [THz] = 212.188069 [cm-1]
( 0.327009 0.000000 -0.327009 0.000000 0.886640 0.000000 )
**************************************************************************
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