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quantum-espresso/PHonon/examples/Recover_example/reference_1/al.dyn5

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Dynamical matrix file
1 1 2 7.5000000 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 = ( 0.750000000 -0.250000000 0.750000000 )
1 1
0.09797653 0.00000000 -0.02487155 0.00000000 0.03191036 0.00000000
-0.02487155 0.00000000 0.14853839 0.00000000 -0.02487155 0.00000000
0.03191036 0.00000000 -0.02487155 0.00000000 0.09797653 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.750000000 -0.250000000 -0.750000000 )
1 1
0.09797653 0.00000000 -0.02487155 0.00000000 -0.03191036 0.00000000
-0.02487155 0.00000000 0.14853839 0.00000000 0.02487155 0.00000000
-0.03191036 0.00000000 0.02487155 0.00000000 0.09797653 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.750000000 -0.250000000 -0.750000000 )
1 1
0.09797653 0.00000000 0.02487155 0.00000000 0.03191036 0.00000000
0.02487155 0.00000000 0.14853839 0.00000000 0.02487155 0.00000000
0.03191036 0.00000000 0.02487155 0.00000000 0.09797653 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.750000000 -0.250000000 0.750000000 )
1 1
0.09797653 0.00000000 0.02487155 0.00000000 -0.03191036 0.00000000
0.02487155 0.00000000 0.14853839 0.00000000 -0.02487155 0.00000000
-0.03191036 0.00000000 -0.02487155 0.00000000 0.09797653 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.750000000 0.250000000 -0.750000000 )
1 1
0.09797653 0.00000000 -0.02487155 0.00000000 0.03191036 0.00000000
-0.02487155 0.00000000 0.14853839 0.00000000 -0.02487155 0.00000000
0.03191036 0.00000000 -0.02487155 0.00000000 0.09797653 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.250000000 0.750000000 -0.750000000 )
1 1
0.14853839 0.00000000 -0.02487155 0.00000000 0.02487155 0.00000000
-0.02487155 0.00000000 0.09797653 0.00000000 -0.03191036 0.00000000
0.02487155 0.00000000 -0.03191036 0.00000000 0.09797653 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.750000000 0.750000000 -0.250000000 )
1 1
0.09797653 0.00000000 -0.03191036 0.00000000 0.02487155 0.00000000
-0.03191036 0.00000000 0.09797653 0.00000000 -0.02487155 0.00000000
0.02487155 0.00000000 -0.02487155 0.00000000 0.14853839 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.750000000 0.250000000 0.750000000 )
1 1
0.09797653 0.00000000 0.02487155 0.00000000 0.03191036 0.00000000
0.02487155 0.00000000 0.14853839 0.00000000 0.02487155 0.00000000
0.03191036 0.00000000 0.02487155 0.00000000 0.09797653 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.750000000 0.250000000 0.750000000 )
1 1
0.09797653 0.00000000 -0.02487155 0.00000000 -0.03191036 0.00000000
-0.02487155 0.00000000 0.14853839 0.00000000 0.02487155 0.00000000
-0.03191036 0.00000000 0.02487155 0.00000000 0.09797653 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.750000000 0.250000000 -0.750000000 )
1 1
0.09797653 0.00000000 0.02487155 0.00000000 -0.03191036 0.00000000
0.02487155 0.00000000 0.14853839 0.00000000 -0.02487155 0.00000000
-0.03191036 0.00000000 -0.02487155 0.00000000 0.09797653 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.750000000 0.750000000 0.250000000 )
1 1
0.09797653 0.00000000 -0.03191036 0.00000000 -0.02487155 0.00000000
-0.03191036 0.00000000 0.09797653 0.00000000 0.02487155 0.00000000
-0.02487155 0.00000000 0.02487155 0.00000000 0.14853839 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.250000000 0.750000000 0.750000000 )
1 1
0.14853839 0.00000000 -0.02487155 0.00000000 -0.02487155 0.00000000
-0.02487155 0.00000000 0.09797653 0.00000000 0.03191036 0.00000000
-0.02487155 0.00000000 0.03191036 0.00000000 0.09797653 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.250000000 0.750000000 -0.750000000 )
1 1
0.14853839 0.00000000 0.02487155 0.00000000 -0.02487155 0.00000000
0.02487155 0.00000000 0.09797653 0.00000000 -0.03191036 0.00000000
-0.02487155 0.00000000 -0.03191036 0.00000000 0.09797653 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.250000000 -0.750000000 -0.750000000 )
1 1
0.14853839 0.00000000 0.02487155 0.00000000 0.02487155 0.00000000
0.02487155 0.00000000 0.09797653 0.00000000 0.03191036 0.00000000
0.02487155 0.00000000 0.03191036 0.00000000 0.09797653 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.750000000 0.750000000 -0.250000000 )
1 1
0.09797653 0.00000000 0.03191036 0.00000000 -0.02487155 0.00000000
0.03191036 0.00000000 0.09797653 0.00000000 -0.02487155 0.00000000
-0.02487155 0.00000000 -0.02487155 0.00000000 0.14853839 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.750000000 -0.750000000 0.250000000 )
1 1
0.09797653 0.00000000 -0.03191036 0.00000000 0.02487155 0.00000000
-0.03191036 0.00000000 0.09797653 0.00000000 -0.02487155 0.00000000
0.02487155 0.00000000 -0.02487155 0.00000000 0.14853839 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.750000000 -0.750000000 -0.250000000 )
1 1
0.09797653 0.00000000 0.03191036 0.00000000 0.02487155 0.00000000
0.03191036 0.00000000 0.09797653 0.00000000 0.02487155 0.00000000
0.02487155 0.00000000 0.02487155 0.00000000 0.14853839 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.250000000 -0.750000000 0.750000000 )
1 1
0.14853839 0.00000000 -0.02487155 0.00000000 0.02487155 0.00000000
-0.02487155 0.00000000 0.09797653 0.00000000 -0.03191036 0.00000000
0.02487155 0.00000000 -0.03191036 0.00000000 0.09797653 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.750000000 -0.750000000 0.250000000 )
1 1
0.09797653 0.00000000 0.03191036 0.00000000 -0.02487155 0.00000000
0.03191036 0.00000000 0.09797653 0.00000000 -0.02487155 0.00000000
-0.02487155 0.00000000 -0.02487155 0.00000000 0.14853839 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.250000000 0.750000000 0.750000000 )
1 1
0.14853839 0.00000000 0.02487155 0.00000000 0.02487155 0.00000000
0.02487155 0.00000000 0.09797653 0.00000000 0.03191036 0.00000000
0.02487155 0.00000000 0.03191036 0.00000000 0.09797653 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.250000000 -0.750000000 0.750000000 )
1 1
0.14853839 0.00000000 0.02487155 0.00000000 -0.02487155 0.00000000
0.02487155 0.00000000 0.09797653 0.00000000 -0.03191036 0.00000000
-0.02487155 0.00000000 -0.03191036 0.00000000 0.09797653 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.750000000 0.750000000 0.250000000 )
1 1
0.09797653 0.00000000 0.03191036 0.00000000 0.02487155 0.00000000
0.03191036 0.00000000 0.09797653 0.00000000 0.02487155 0.00000000
0.02487155 0.00000000 0.02487155 0.00000000 0.14853839 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.250000000 -0.750000000 -0.750000000 )
1 1
0.14853839 0.00000000 -0.02487155 0.00000000 -0.02487155 0.00000000
-0.02487155 0.00000000 0.09797653 0.00000000 0.03191036 0.00000000
-0.02487155 0.00000000 0.03191036 0.00000000 0.09797653 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.750000000 -0.750000000 -0.250000000 )
1 1
0.09797653 0.00000000 -0.03191036 0.00000000 -0.02487155 0.00000000
-0.03191036 0.00000000 0.09797653 0.00000000 0.02487155 0.00000000
-0.02487155 0.00000000 0.02487155 0.00000000 0.14853839 0.00000000
Diagonalizing the dynamical matrix
q = ( 0.750000000 -0.250000000 0.750000000 )
**************************************************************************
freq ( 1) = 5.392356 [THz] = 179.869641 [cm-1]
( 0.707107 0.000000 -0.000000 0.000000 -0.707107 0.000000 )
freq ( 2) = 6.727219 [THz] = 224.395858 [cm-1]
( 0.560419 0.000000 0.609803 -0.000000 0.560419 0.000000 )
freq ( 3) = 8.791303 [THz] = 293.246314 [cm-1]
( 0.431196 -0.000000 -0.792553 0.000000 0.431196 -0.000000 )
**************************************************************************
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