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quantum-espresso/PHonon/examples/Image_example/reference_1/al.disp.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
0.09797687 0.00000000 -0.02487163 0.00000000 0.03191072 0.00000000
-0.02487163 0.00000000 0.14853637 0.00000000 -0.02487163 0.00000000
0.03191072 0.00000000 -0.02487163 0.00000000 0.09797687 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.750000000 -0.250000000 -0.750000000 )
1 1
0.09797687 0.00000000 -0.02487163 0.00000000 -0.03191072 0.00000000
-0.02487163 0.00000000 0.14853637 0.00000000 0.02487163 0.00000000
-0.03191072 0.00000000 0.02487163 0.00000000 0.09797687 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.750000000 -0.250000000 -0.750000000 )
1 1
0.09797687 0.00000000 0.02487163 0.00000000 0.03191072 0.00000000
0.02487163 0.00000000 0.14853637 0.00000000 0.02487163 0.00000000
0.03191072 0.00000000 0.02487163 0.00000000 0.09797687 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.750000000 -0.250000000 0.750000000 )
1 1
0.09797687 0.00000000 0.02487163 0.00000000 -0.03191072 0.00000000
0.02487163 0.00000000 0.14853637 0.00000000 -0.02487163 0.00000000
-0.03191072 0.00000000 -0.02487163 0.00000000 0.09797687 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.250000000 0.750000000 -0.750000000 )
1 1
0.14853637 0.00000000 -0.02487163 0.00000000 0.02487163 0.00000000
-0.02487163 0.00000000 0.09797687 0.00000000 -0.03191072 0.00000000
0.02487163 0.00000000 -0.03191072 0.00000000 0.09797687 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.750000000 0.750000000 -0.250000000 )
1 1
0.09797687 0.00000000 -0.03191072 0.00000000 0.02487163 0.00000000
-0.03191072 0.00000000 0.09797687 0.00000000 -0.02487163 0.00000000
0.02487163 0.00000000 -0.02487163 0.00000000 0.14853637 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.750000000 0.250000000 -0.750000000 )
1 1
0.09797687 0.00000000 -0.02487163 0.00000000 0.03191072 0.00000000
-0.02487163 0.00000000 0.14853637 0.00000000 -0.02487163 0.00000000
0.03191072 0.00000000 -0.02487163 0.00000000 0.09797687 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.750000000 0.250000000 0.750000000 )
1 1
0.09797687 0.00000000 0.02487163 0.00000000 0.03191072 0.00000000
0.02487163 0.00000000 0.14853637 0.00000000 0.02487163 0.00000000
0.03191072 0.00000000 0.02487163 0.00000000 0.09797687 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.750000000 0.250000000 0.750000000 )
1 1
0.09797687 0.00000000 -0.02487163 0.00000000 -0.03191072 0.00000000
-0.02487163 0.00000000 0.14853637 0.00000000 0.02487163 0.00000000
-0.03191072 0.00000000 0.02487163 0.00000000 0.09797687 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.750000000 0.250000000 -0.750000000 )
1 1
0.09797687 0.00000000 0.02487163 0.00000000 -0.03191072 0.00000000
0.02487163 0.00000000 0.14853637 0.00000000 -0.02487163 0.00000000
-0.03191072 0.00000000 -0.02487163 0.00000000 0.09797687 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.750000000 0.750000000 0.250000000 )
1 1
0.09797687 0.00000000 -0.03191072 0.00000000 -0.02487163 0.00000000
-0.03191072 0.00000000 0.09797687 0.00000000 0.02487163 0.00000000
-0.02487163 0.00000000 0.02487163 0.00000000 0.14853637 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.250000000 0.750000000 0.750000000 )
1 1
0.14853637 0.00000000 -0.02487163 0.00000000 -0.02487163 0.00000000
-0.02487163 0.00000000 0.09797687 0.00000000 0.03191072 0.00000000
-0.02487163 0.00000000 0.03191072 0.00000000 0.09797687 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.250000000 0.750000000 -0.750000000 )
1 1
0.14853637 0.00000000 0.02487163 0.00000000 -0.02487163 0.00000000
0.02487163 0.00000000 0.09797687 0.00000000 -0.03191072 0.00000000
-0.02487163 0.00000000 -0.03191072 0.00000000 0.09797687 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.250000000 -0.750000000 -0.750000000 )
1 1
0.14853637 0.00000000 0.02487163 0.00000000 0.02487163 0.00000000
0.02487163 0.00000000 0.09797687 0.00000000 0.03191072 0.00000000
0.02487163 0.00000000 0.03191072 0.00000000 0.09797687 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.750000000 0.750000000 -0.250000000 )
1 1
0.09797687 0.00000000 0.03191072 0.00000000 -0.02487163 0.00000000
0.03191072 0.00000000 0.09797687 0.00000000 -0.02487163 0.00000000
-0.02487163 0.00000000 -0.02487163 0.00000000 0.14853637 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.750000000 -0.750000000 0.250000000 )
1 1
0.09797687 0.00000000 -0.03191072 0.00000000 0.02487163 0.00000000
-0.03191072 0.00000000 0.09797687 0.00000000 -0.02487163 0.00000000
0.02487163 0.00000000 -0.02487163 0.00000000 0.14853637 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.750000000 -0.750000000 -0.250000000 )
1 1
0.09797687 0.00000000 0.03191072 0.00000000 0.02487163 0.00000000
0.03191072 0.00000000 0.09797687 0.00000000 0.02487163 0.00000000
0.02487163 0.00000000 0.02487163 0.00000000 0.14853637 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.250000000 -0.750000000 0.750000000 )
1 1
0.14853637 0.00000000 -0.02487163 0.00000000 0.02487163 0.00000000
-0.02487163 0.00000000 0.09797687 0.00000000 -0.03191072 0.00000000
0.02487163 0.00000000 -0.03191072 0.00000000 0.09797687 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.750000000 -0.750000000 0.250000000 )
1 1
0.09797687 0.00000000 0.03191072 0.00000000 -0.02487163 0.00000000
0.03191072 0.00000000 0.09797687 0.00000000 -0.02487163 0.00000000
-0.02487163 0.00000000 -0.02487163 0.00000000 0.14853637 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.250000000 0.750000000 0.750000000 )
1 1
0.14853637 0.00000000 0.02487163 0.00000000 0.02487163 0.00000000
0.02487163 0.00000000 0.09797687 0.00000000 0.03191072 0.00000000
0.02487163 0.00000000 0.03191072 0.00000000 0.09797687 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.250000000 -0.750000000 0.750000000 )
1 1
0.14853637 0.00000000 0.02487163 0.00000000 -0.02487163 0.00000000
0.02487163 0.00000000 0.09797687 0.00000000 -0.03191072 0.00000000
-0.02487163 0.00000000 -0.03191072 0.00000000 0.09797687 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.750000000 0.750000000 0.250000000 )
1 1
0.09797687 0.00000000 0.03191072 0.00000000 0.02487163 0.00000000
0.03191072 0.00000000 0.09797687 0.00000000 0.02487163 0.00000000
0.02487163 0.00000000 0.02487163 0.00000000 0.14853637 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.250000000 -0.750000000 -0.750000000 )
1 1
0.14853637 0.00000000 -0.02487163 0.00000000 -0.02487163 0.00000000
-0.02487163 0.00000000 0.09797687 0.00000000 0.03191072 0.00000000
-0.02487163 0.00000000 0.03191072 0.00000000 0.09797687 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.750000000 -0.750000000 -0.250000000 )
1 1
0.09797687 0.00000000 -0.03191072 0.00000000 -0.02487163 0.00000000
-0.03191072 0.00000000 0.09797687 0.00000000 0.02487163 0.00000000
-0.02487163 0.00000000 0.02487163 0.00000000 0.14853637 0.00000000
Diagonalizing the dynamical matrix
q = ( 0.750000000 -0.250000000 0.750000000 )
**************************************************************************
freq ( 1) = 5.392355 [THz] = 179.869603 [cm-1]
( 0.707107 0.000000 0.000000 0.000000 -0.707107 0.000000 )
freq ( 2) = 6.727205 [THz] = 224.395398 [cm-1]
( 0.560411 0.000000 0.609818 -0.000000 0.560411 0.000000 )
freq ( 3) = 8.791281 [THz] = 293.245569 [cm-1]
( 0.431206 -0.000000 -0.792541 0.000000 0.431206 -0.000000 )
**************************************************************************
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