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quantum-espresso/PHonon/examples/tetra_example/reference/al.dyn5

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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 0.625000000 0.125000000 )
1 1
0.06436868 0.00000000 -0.01760173 0.00000000 -0.01044252 0.00000000
-0.01760173 0.00000000 0.15179856 0.00000000 0.01760173 0.00000000
-0.01044252 0.00000000 0.01760173 0.00000000 0.06436868 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 0.125000000 0.625000000 )
1 1
0.06436868 0.00000000 -0.01044252 0.00000000 -0.01760173 0.00000000
-0.01044252 0.00000000 0.06436868 0.00000000 0.01760173 0.00000000
-0.01760173 0.00000000 0.01760173 0.00000000 0.15179856 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.625000000 0.125000000 0.125000000 )
1 1
0.15179856 0.00000000 -0.01760173 0.00000000 -0.01760173 0.00000000
-0.01760173 0.00000000 0.06436868 0.00000000 0.01044252 0.00000000
-0.01760173 0.00000000 0.01044252 0.00000000 0.06436868 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.625000000 0.125000000 0.125000000 )
1 1
0.15179856 0.00000000 0.01760173 0.00000000 0.01760173 0.00000000
0.01760173 0.00000000 0.06436868 0.00000000 0.01044252 0.00000000
0.01760173 0.00000000 0.01044252 0.00000000 0.06436868 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.625000000 -0.125000000 0.125000000 )
1 1
0.15179856 0.00000000 0.01760173 0.00000000 -0.01760173 0.00000000
0.01760173 0.00000000 0.06436868 0.00000000 -0.01044252 0.00000000
-0.01760173 0.00000000 -0.01044252 0.00000000 0.06436868 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 -0.625000000 -0.125000000 )
1 1
0.06436868 0.00000000 -0.01760173 0.00000000 -0.01044252 0.00000000
-0.01760173 0.00000000 0.15179856 0.00000000 0.01760173 0.00000000
-0.01044252 0.00000000 0.01760173 0.00000000 0.06436868 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 -0.625000000 0.125000000 )
1 1
0.06436868 0.00000000 0.01760173 0.00000000 -0.01044252 0.00000000
0.01760173 0.00000000 0.15179856 0.00000000 -0.01760173 0.00000000
-0.01044252 0.00000000 -0.01760173 0.00000000 0.06436868 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 0.625000000 0.125000000 )
1 1
0.06436868 0.00000000 0.01760173 0.00000000 0.01044252 0.00000000
0.01760173 0.00000000 0.15179856 0.00000000 0.01760173 0.00000000
0.01044252 0.00000000 0.01760173 0.00000000 0.06436868 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 0.625000000 -0.125000000 )
1 1
0.06436868 0.00000000 -0.01760173 0.00000000 0.01044252 0.00000000
-0.01760173 0.00000000 0.15179856 0.00000000 -0.01760173 0.00000000
0.01044252 0.00000000 -0.01760173 0.00000000 0.06436868 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 0.125000000 0.625000000 )
1 1
0.06436868 0.00000000 0.01044252 0.00000000 0.01760173 0.00000000
0.01044252 0.00000000 0.06436868 0.00000000 0.01760173 0.00000000
0.01760173 0.00000000 0.01760173 0.00000000 0.15179856 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 -0.125000000 -0.625000000 )
1 1
0.06436868 0.00000000 -0.01044252 0.00000000 -0.01760173 0.00000000
-0.01044252 0.00000000 0.06436868 0.00000000 0.01760173 0.00000000
-0.01760173 0.00000000 0.01760173 0.00000000 0.15179856 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 0.125000000 -0.625000000 )
1 1
0.06436868 0.00000000 -0.01044252 0.00000000 0.01760173 0.00000000
-0.01044252 0.00000000 0.06436868 0.00000000 -0.01760173 0.00000000
0.01760173 0.00000000 -0.01760173 0.00000000 0.15179856 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 -0.125000000 0.625000000 )
1 1
0.06436868 0.00000000 0.01044252 0.00000000 -0.01760173 0.00000000
0.01044252 0.00000000 0.06436868 0.00000000 -0.01760173 0.00000000
-0.01760173 0.00000000 -0.01760173 0.00000000 0.15179856 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.625000000 0.125000000 -0.125000000 )
1 1
0.15179856 0.00000000 0.01760173 0.00000000 -0.01760173 0.00000000
0.01760173 0.00000000 0.06436868 0.00000000 -0.01044252 0.00000000
-0.01760173 0.00000000 -0.01044252 0.00000000 0.06436868 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 -0.625000000 0.125000000 )
1 1
0.06436868 0.00000000 -0.01760173 0.00000000 0.01044252 0.00000000
-0.01760173 0.00000000 0.15179856 0.00000000 -0.01760173 0.00000000
0.01044252 0.00000000 -0.01760173 0.00000000 0.06436868 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.625000000 -0.125000000 0.125000000 )
1 1
0.15179856 0.00000000 -0.01760173 0.00000000 0.01760173 0.00000000
-0.01760173 0.00000000 0.06436868 0.00000000 -0.01044252 0.00000000
0.01760173 0.00000000 -0.01044252 0.00000000 0.06436868 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.625000000 -0.125000000 -0.125000000 )
1 1
0.15179856 0.00000000 0.01760173 0.00000000 0.01760173 0.00000000
0.01760173 0.00000000 0.06436868 0.00000000 0.01044252 0.00000000
0.01760173 0.00000000 0.01044252 0.00000000 0.06436868 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 -0.125000000 0.625000000 )
1 1
0.06436868 0.00000000 -0.01044252 0.00000000 0.01760173 0.00000000
-0.01044252 0.00000000 0.06436868 0.00000000 -0.01760173 0.00000000
0.01760173 0.00000000 -0.01760173 0.00000000 0.15179856 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 0.125000000 -0.625000000 )
1 1
0.06436868 0.00000000 0.01044252 0.00000000 -0.01760173 0.00000000
0.01044252 0.00000000 0.06436868 0.00000000 -0.01760173 0.00000000
-0.01760173 0.00000000 -0.01760173 0.00000000 0.15179856 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 0.625000000 -0.125000000 )
1 1
0.06436868 0.00000000 0.01760173 0.00000000 -0.01044252 0.00000000
0.01760173 0.00000000 0.15179856 0.00000000 -0.01760173 0.00000000
-0.01044252 0.00000000 -0.01760173 0.00000000 0.06436868 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 -0.125000000 -0.625000000 )
1 1
0.06436868 0.00000000 0.01044252 0.00000000 0.01760173 0.00000000
0.01044252 0.00000000 0.06436868 0.00000000 0.01760173 0.00000000
0.01760173 0.00000000 0.01760173 0.00000000 0.15179856 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 -0.625000000 -0.125000000 )
1 1
0.06436868 0.00000000 0.01760173 0.00000000 0.01044252 0.00000000
0.01760173 0.00000000 0.15179856 0.00000000 0.01760173 0.00000000
0.01044252 0.00000000 0.01760173 0.00000000 0.06436868 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.625000000 -0.125000000 -0.125000000 )
1 1
0.15179856 0.00000000 -0.01760173 0.00000000 -0.01760173 0.00000000
-0.01760173 0.00000000 0.06436868 0.00000000 0.01044252 0.00000000
-0.01760173 0.00000000 0.01044252 0.00000000 0.06436868 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.625000000 0.125000000 -0.125000000 )
1 1
0.15179856 0.00000000 -0.01760173 0.00000000 0.01760173 0.00000000
-0.01760173 0.00000000 0.06436868 0.00000000 -0.01044252 0.00000000
0.01760173 0.00000000 -0.01044252 0.00000000 0.06436868 0.00000000
Diagonalizing the dynamical matrix
q = ( -0.125000000 0.625000000 0.125000000 )
**************************************************************************
freq ( 1) = 4.871792 [THz] = 162.505485 [cm-1]
( -0.707107 0.000000 0.000000 0.000000 -0.707107 0.000000 )
freq ( 2) = 5.449095 [THz] = 181.762249 [cm-1]
( 0.678181 0.000000 0.283090 -0.000000 -0.678181 0.000000 )
freq ( 3) = 8.369256 [THz] = 279.168316 [cm-1]
( 0.200175 -0.000000 -0.959093 0.000000 -0.200175 0.000000 )
**************************************************************************
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