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quantum-espresso/PHonon/examples/tetra_example/reference/al.dyn3

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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 = ( 0.375000000 -0.375000000 0.625000000 )
1 1
0.10079056 0.00000000 -0.05181624 0.00000000 0.04678512 0.00000000
-0.05181624 0.00000000 0.10079056 0.00000000 -0.04678512 0.00000000
0.04678512 0.00000000 -0.04678512 0.00000000 0.12068614 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.625000000 -0.375000000 -0.375000000 )
1 1
0.12068614 0.00000000 0.04678512 0.00000000 0.04678512 0.00000000
0.04678512 0.00000000 0.10079056 0.00000000 0.05181624 0.00000000
0.04678512 0.00000000 0.05181624 0.00000000 0.10079056 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.375000000 0.625000000 -0.375000000 )
1 1
0.10079056 0.00000000 0.04678512 0.00000000 -0.05181624 0.00000000
0.04678512 0.00000000 0.12068614 0.00000000 -0.04678512 0.00000000
-0.05181624 0.00000000 -0.04678512 0.00000000 0.10079056 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.375000000 -0.375000000 0.625000000 )
1 1
0.10079056 0.00000000 0.05181624 0.00000000 -0.04678512 0.00000000
0.05181624 0.00000000 0.10079056 0.00000000 -0.04678512 0.00000000
-0.04678512 0.00000000 -0.04678512 0.00000000 0.12068614 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.375000000 0.375000000 0.625000000 )
1 1
0.10079056 0.00000000 0.05181624 0.00000000 0.04678512 0.00000000
0.05181624 0.00000000 0.10079056 0.00000000 0.04678512 0.00000000
0.04678512 0.00000000 0.04678512 0.00000000 0.12068614 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.625000000 0.375000000 0.375000000 )
1 1
0.12068614 0.00000000 0.04678512 0.00000000 0.04678512 0.00000000
0.04678512 0.00000000 0.10079056 0.00000000 0.05181624 0.00000000
0.04678512 0.00000000 0.05181624 0.00000000 0.10079056 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.625000000 0.375000000 -0.375000000 )
1 1
0.12068614 0.00000000 -0.04678512 0.00000000 0.04678512 0.00000000
-0.04678512 0.00000000 0.10079056 0.00000000 -0.05181624 0.00000000
0.04678512 0.00000000 -0.05181624 0.00000000 0.10079056 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.625000000 -0.375000000 -0.375000000 )
1 1
0.12068614 0.00000000 -0.04678512 0.00000000 -0.04678512 0.00000000
-0.04678512 0.00000000 0.10079056 0.00000000 0.05181624 0.00000000
-0.04678512 0.00000000 0.05181624 0.00000000 0.10079056 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.625000000 -0.375000000 0.375000000 )
1 1
0.12068614 0.00000000 0.04678512 0.00000000 -0.04678512 0.00000000
0.04678512 0.00000000 0.10079056 0.00000000 -0.05181624 0.00000000
-0.04678512 0.00000000 -0.05181624 0.00000000 0.10079056 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.375000000 0.625000000 -0.375000000 )
1 1
0.10079056 0.00000000 -0.04678512 0.00000000 0.05181624 0.00000000
-0.04678512 0.00000000 0.12068614 0.00000000 -0.04678512 0.00000000
0.05181624 0.00000000 -0.04678512 0.00000000 0.10079056 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.375000000 -0.625000000 0.375000000 )
1 1
0.10079056 0.00000000 0.04678512 0.00000000 -0.05181624 0.00000000
0.04678512 0.00000000 0.12068614 0.00000000 -0.04678512 0.00000000
-0.05181624 0.00000000 -0.04678512 0.00000000 0.10079056 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.375000000 0.625000000 0.375000000 )
1 1
0.10079056 0.00000000 0.04678512 0.00000000 0.05181624 0.00000000
0.04678512 0.00000000 0.12068614 0.00000000 0.04678512 0.00000000
0.05181624 0.00000000 0.04678512 0.00000000 0.10079056 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.375000000 -0.625000000 -0.375000000 )
1 1
0.10079056 0.00000000 -0.04678512 0.00000000 -0.05181624 0.00000000
-0.04678512 0.00000000 0.12068614 0.00000000 0.04678512 0.00000000
-0.05181624 0.00000000 0.04678512 0.00000000 0.10079056 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.375000000 0.625000000 0.375000000 )
1 1
0.10079056 0.00000000 -0.04678512 0.00000000 -0.05181624 0.00000000
-0.04678512 0.00000000 0.12068614 0.00000000 0.04678512 0.00000000
-0.05181624 0.00000000 0.04678512 0.00000000 0.10079056 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.375000000 0.375000000 0.625000000 )
1 1
0.10079056 0.00000000 -0.05181624 0.00000000 -0.04678512 0.00000000
-0.05181624 0.00000000 0.10079056 0.00000000 0.04678512 0.00000000
-0.04678512 0.00000000 0.04678512 0.00000000 0.12068614 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.375000000 -0.625000000 -0.375000000 )
1 1
0.10079056 0.00000000 0.04678512 0.00000000 0.05181624 0.00000000
0.04678512 0.00000000 0.12068614 0.00000000 0.04678512 0.00000000
0.05181624 0.00000000 0.04678512 0.00000000 0.10079056 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.375000000 -0.625000000 0.375000000 )
1 1
0.10079056 0.00000000 -0.04678512 0.00000000 0.05181624 0.00000000
-0.04678512 0.00000000 0.12068614 0.00000000 -0.04678512 0.00000000
0.05181624 0.00000000 -0.04678512 0.00000000 0.10079056 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.625000000 0.375000000 -0.375000000 )
1 1
0.12068614 0.00000000 0.04678512 0.00000000 -0.04678512 0.00000000
0.04678512 0.00000000 0.10079056 0.00000000 -0.05181624 0.00000000
-0.04678512 0.00000000 -0.05181624 0.00000000 0.10079056 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.625000000 -0.375000000 0.375000000 )
1 1
0.12068614 0.00000000 -0.04678512 0.00000000 0.04678512 0.00000000
-0.04678512 0.00000000 0.10079056 0.00000000 -0.05181624 0.00000000
0.04678512 0.00000000 -0.05181624 0.00000000 0.10079056 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.375000000 -0.375000000 -0.625000000 )
1 1
0.10079056 0.00000000 0.05181624 0.00000000 0.04678512 0.00000000
0.05181624 0.00000000 0.10079056 0.00000000 0.04678512 0.00000000
0.04678512 0.00000000 0.04678512 0.00000000 0.12068614 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.625000000 0.375000000 0.375000000 )
1 1
0.12068614 0.00000000 -0.04678512 0.00000000 -0.04678512 0.00000000
-0.04678512 0.00000000 0.10079056 0.00000000 0.05181624 0.00000000
-0.04678512 0.00000000 0.05181624 0.00000000 0.10079056 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.375000000 0.375000000 -0.625000000 )
1 1
0.10079056 0.00000000 -0.05181624 0.00000000 0.04678512 0.00000000
-0.05181624 0.00000000 0.10079056 0.00000000 -0.04678512 0.00000000
0.04678512 0.00000000 -0.04678512 0.00000000 0.12068614 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.375000000 -0.375000000 -0.625000000 )
1 1
0.10079056 0.00000000 -0.05181624 0.00000000 -0.04678512 0.00000000
-0.05181624 0.00000000 0.10079056 0.00000000 0.04678512 0.00000000
-0.04678512 0.00000000 0.04678512 0.00000000 0.12068614 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.375000000 0.375000000 -0.625000000 )
1 1
0.10079056 0.00000000 0.05181624 0.00000000 -0.04678512 0.00000000
0.05181624 0.00000000 0.10079056 0.00000000 -0.04678512 0.00000000
-0.04678512 0.00000000 -0.04678512 0.00000000 0.12068614 0.00000000
Diagonalizing the dynamical matrix
q = ( 0.375000000 -0.375000000 0.625000000 )
**************************************************************************
freq ( 1) = 4.642728 [THz] = 154.864732 [cm-1]
( 0.707107 0.000000 0.707107 0.000000 -0.000000 0.000000 )
freq ( 2) = 5.494170 [THz] = 183.265786 [cm-1]
( -0.437465 0.000000 0.437465 0.000000 0.785652 0.000000 )
freq ( 3) = 9.491981 [THz] = 316.618401 [cm-1]
( 0.555540 0.000000 -0.555540 0.000000 0.618669 0.000000 )
**************************************************************************
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