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quantum-espresso/PHonon/examples/tetra_example/reference/al.dyn7

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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 0.125000000 0.625000000 )
1 1
0.09131572 0.00000000 0.02152030 0.00000000 0.04992512 0.00000000
0.02152030 0.00000000 0.09711484 0.00000000 0.01718675 0.00000000
0.04992512 0.00000000 0.01718675 0.00000000 0.13935242 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.625000000 0.125000000 -0.375000000 )
1 1
0.13935242 0.00000000 -0.01718675 0.00000000 0.04992512 0.00000000
-0.01718675 0.00000000 0.09711484 0.00000000 -0.02152030 0.00000000
0.04992512 0.00000000 -0.02152030 0.00000000 0.09131572 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.625000000 -0.375000000 0.125000000 )
1 1
0.13935242 0.00000000 0.04992512 0.00000000 -0.01718675 0.00000000
0.04992512 0.00000000 0.09131572 0.00000000 -0.02152030 0.00000000
-0.01718675 0.00000000 -0.02152030 0.00000000 0.09711484 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 0.625000000 -0.375000000 )
1 1
0.09711484 0.00000000 -0.01718675 0.00000000 0.02152030 0.00000000
-0.01718675 0.00000000 0.13935242 0.00000000 -0.04992512 0.00000000
0.02152030 0.00000000 -0.04992512 0.00000000 0.09131572 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 -0.375000000 0.625000000 )
1 1
0.09711484 0.00000000 0.02152030 0.00000000 -0.01718675 0.00000000
0.02152030 0.00000000 0.09131572 0.00000000 -0.04992512 0.00000000
-0.01718675 0.00000000 -0.04992512 0.00000000 0.13935242 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.375000000 0.625000000 0.125000000 )
1 1
0.09131572 0.00000000 0.04992512 0.00000000 0.02152030 0.00000000
0.04992512 0.00000000 0.13935242 0.00000000 0.01718675 0.00000000
0.02152030 0.00000000 0.01718675 0.00000000 0.09711484 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 -0.375000000 0.625000000 )
1 1
0.09711484 0.00000000 -0.02152030 0.00000000 0.01718675 0.00000000
-0.02152030 0.00000000 0.09131572 0.00000000 -0.04992512 0.00000000
0.01718675 0.00000000 -0.04992512 0.00000000 0.13935242 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 0.375000000 0.625000000 )
1 1
0.09711484 0.00000000 -0.02152030 0.00000000 -0.01718675 0.00000000
-0.02152030 0.00000000 0.09131572 0.00000000 0.04992512 0.00000000
-0.01718675 0.00000000 0.04992512 0.00000000 0.13935242 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.625000000 -0.125000000 0.375000000 )
1 1
0.13935242 0.00000000 -0.01718675 0.00000000 0.04992512 0.00000000
-0.01718675 0.00000000 0.09711484 0.00000000 -0.02152030 0.00000000
0.04992512 0.00000000 -0.02152030 0.00000000 0.09131572 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.625000000 -0.125000000 -0.375000000 )
1 1
0.13935242 0.00000000 0.01718675 0.00000000 0.04992512 0.00000000
0.01718675 0.00000000 0.09711484 0.00000000 0.02152030 0.00000000
0.04992512 0.00000000 0.02152030 0.00000000 0.09131572 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.625000000 0.125000000 -0.375000000 )
1 1
0.13935242 0.00000000 0.01718675 0.00000000 -0.04992512 0.00000000
0.01718675 0.00000000 0.09711484 0.00000000 -0.02152030 0.00000000
-0.04992512 0.00000000 -0.02152030 0.00000000 0.09131572 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.625000000 0.125000000 0.375000000 )
1 1
0.13935242 0.00000000 -0.01718675 0.00000000 -0.04992512 0.00000000
-0.01718675 0.00000000 0.09711484 0.00000000 0.02152030 0.00000000
-0.04992512 0.00000000 0.02152030 0.00000000 0.09131572 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.375000000 0.625000000 0.125000000 )
1 1
0.09131572 0.00000000 -0.04992512 0.00000000 -0.02152030 0.00000000
-0.04992512 0.00000000 0.13935242 0.00000000 0.01718675 0.00000000
-0.02152030 0.00000000 0.01718675 0.00000000 0.09711484 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.375000000 -0.625000000 -0.125000000 )
1 1
0.09131572 0.00000000 0.04992512 0.00000000 0.02152030 0.00000000
0.04992512 0.00000000 0.13935242 0.00000000 0.01718675 0.00000000
0.02152030 0.00000000 0.01718675 0.00000000 0.09711484 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.375000000 0.625000000 -0.125000000 )
1 1
0.09131572 0.00000000 0.04992512 0.00000000 -0.02152030 0.00000000
0.04992512 0.00000000 0.13935242 0.00000000 -0.01718675 0.00000000
-0.02152030 0.00000000 -0.01718675 0.00000000 0.09711484 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.375000000 -0.625000000 0.125000000 )
1 1
0.09131572 0.00000000 -0.04992512 0.00000000 0.02152030 0.00000000
-0.04992512 0.00000000 0.13935242 0.00000000 -0.01718675 0.00000000
0.02152030 0.00000000 -0.01718675 0.00000000 0.09711484 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 0.625000000 0.375000000 )
1 1
0.09711484 0.00000000 0.01718675 0.00000000 0.02152030 0.00000000
0.01718675 0.00000000 0.13935242 0.00000000 0.04992512 0.00000000
0.02152030 0.00000000 0.04992512 0.00000000 0.09131572 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.375000000 -0.125000000 0.625000000 )
1 1
0.09131572 0.00000000 0.02152030 0.00000000 -0.04992512 0.00000000
0.02152030 0.00000000 0.09711484 0.00000000 -0.01718675 0.00000000
-0.04992512 0.00000000 -0.01718675 0.00000000 0.13935242 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 -0.625000000 -0.375000000 )
1 1
0.09711484 0.00000000 -0.01718675 0.00000000 -0.02152030 0.00000000
-0.01718675 0.00000000 0.13935242 0.00000000 0.04992512 0.00000000
-0.02152030 0.00000000 0.04992512 0.00000000 0.09131572 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 -0.625000000 0.375000000 )
1 1
0.09711484 0.00000000 0.01718675 0.00000000 -0.02152030 0.00000000
0.01718675 0.00000000 0.13935242 0.00000000 -0.04992512 0.00000000
-0.02152030 0.00000000 -0.04992512 0.00000000 0.09131572 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.625000000 0.375000000 0.125000000 )
1 1
0.13935242 0.00000000 0.04992512 0.00000000 0.01718675 0.00000000
0.04992512 0.00000000 0.09131572 0.00000000 0.02152030 0.00000000
0.01718675 0.00000000 0.02152030 0.00000000 0.09711484 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.625000000 -0.375000000 -0.125000000 )
1 1
0.13935242 0.00000000 -0.04992512 0.00000000 -0.01718675 0.00000000
-0.04992512 0.00000000 0.09131572 0.00000000 0.02152030 0.00000000
-0.01718675 0.00000000 0.02152030 0.00000000 0.09711484 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.375000000 0.125000000 -0.625000000 )
1 1
0.09131572 0.00000000 -0.02152030 0.00000000 0.04992512 0.00000000
-0.02152030 0.00000000 0.09711484 0.00000000 -0.01718675 0.00000000
0.04992512 0.00000000 -0.01718675 0.00000000 0.13935242 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.625000000 0.375000000 -0.125000000 )
1 1
0.13935242 0.00000000 -0.04992512 0.00000000 0.01718675 0.00000000
-0.04992512 0.00000000 0.09131572 0.00000000 -0.02152030 0.00000000
0.01718675 0.00000000 -0.02152030 0.00000000 0.09711484 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.375000000 -0.125000000 -0.625000000 )
1 1
0.09131572 0.00000000 0.02152030 0.00000000 0.04992512 0.00000000
0.02152030 0.00000000 0.09711484 0.00000000 0.01718675 0.00000000
0.04992512 0.00000000 0.01718675 0.00000000 0.13935242 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.375000000 0.125000000 -0.625000000 )
1 1
0.09131572 0.00000000 0.02152030 0.00000000 -0.04992512 0.00000000
0.02152030 0.00000000 0.09711484 0.00000000 -0.01718675 0.00000000
-0.04992512 0.00000000 -0.01718675 0.00000000 0.13935242 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.375000000 -0.125000000 0.625000000 )
1 1
0.09131572 0.00000000 -0.02152030 0.00000000 0.04992512 0.00000000
-0.02152030 0.00000000 0.09711484 0.00000000 -0.01718675 0.00000000
0.04992512 0.00000000 -0.01718675 0.00000000 0.13935242 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.375000000 0.125000000 0.625000000 )
1 1
0.09131572 0.00000000 -0.02152030 0.00000000 -0.04992512 0.00000000
-0.02152030 0.00000000 0.09711484 0.00000000 0.01718675 0.00000000
-0.04992512 0.00000000 0.01718675 0.00000000 0.13935242 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.375000000 -0.125000000 -0.625000000 )
1 1
0.09131572 0.00000000 -0.02152030 0.00000000 -0.04992512 0.00000000
-0.02152030 0.00000000 0.09711484 0.00000000 0.01718675 0.00000000
-0.04992512 0.00000000 0.01718675 0.00000000 0.13935242 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 0.375000000 0.625000000 )
1 1
0.09711484 0.00000000 0.02152030 0.00000000 0.01718675 0.00000000
0.02152030 0.00000000 0.09131572 0.00000000 0.04992512 0.00000000
0.01718675 0.00000000 0.04992512 0.00000000 0.13935242 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 0.375000000 -0.625000000 )
1 1
0.09711484 0.00000000 -0.02152030 0.00000000 0.01718675 0.00000000
-0.02152030 0.00000000 0.09131572 0.00000000 -0.04992512 0.00000000
0.01718675 0.00000000 -0.04992512 0.00000000 0.13935242 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 -0.375000000 -0.625000000 )
1 1
0.09711484 0.00000000 -0.02152030 0.00000000 -0.01718675 0.00000000
-0.02152030 0.00000000 0.09131572 0.00000000 0.04992512 0.00000000
-0.01718675 0.00000000 0.04992512 0.00000000 0.13935242 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 0.375000000 -0.625000000 )
1 1
0.09711484 0.00000000 0.02152030 0.00000000 -0.01718675 0.00000000
0.02152030 0.00000000 0.09131572 0.00000000 -0.04992512 0.00000000
-0.01718675 0.00000000 -0.04992512 0.00000000 0.13935242 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.625000000 0.125000000 0.375000000 )
1 1
0.13935242 0.00000000 0.01718675 0.00000000 0.04992512 0.00000000
0.01718675 0.00000000 0.09711484 0.00000000 0.02152030 0.00000000
0.04992512 0.00000000 0.02152030 0.00000000 0.09131572 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.625000000 -0.125000000 0.375000000 )
1 1
0.13935242 0.00000000 0.01718675 0.00000000 -0.04992512 0.00000000
0.01718675 0.00000000 0.09711484 0.00000000 -0.02152030 0.00000000
-0.04992512 0.00000000 -0.02152030 0.00000000 0.09131572 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.625000000 -0.125000000 -0.375000000 )
1 1
0.13935242 0.00000000 -0.01718675 0.00000000 -0.04992512 0.00000000
-0.01718675 0.00000000 0.09711484 0.00000000 0.02152030 0.00000000
-0.04992512 0.00000000 0.02152030 0.00000000 0.09131572 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.375000000 -0.625000000 -0.125000000 )
1 1
0.09131572 0.00000000 -0.04992512 0.00000000 -0.02152030 0.00000000
-0.04992512 0.00000000 0.13935242 0.00000000 0.01718675 0.00000000
-0.02152030 0.00000000 0.01718675 0.00000000 0.09711484 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 -0.375000000 -0.625000000 )
1 1
0.09711484 0.00000000 0.02152030 0.00000000 0.01718675 0.00000000
0.02152030 0.00000000 0.09131572 0.00000000 0.04992512 0.00000000
0.01718675 0.00000000 0.04992512 0.00000000 0.13935242 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.375000000 -0.625000000 0.125000000 )
1 1
0.09131572 0.00000000 0.04992512 0.00000000 -0.02152030 0.00000000
0.04992512 0.00000000 0.13935242 0.00000000 -0.01718675 0.00000000
-0.02152030 0.00000000 -0.01718675 0.00000000 0.09711484 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.375000000 0.625000000 -0.125000000 )
1 1
0.09131572 0.00000000 -0.04992512 0.00000000 0.02152030 0.00000000
-0.04992512 0.00000000 0.13935242 0.00000000 -0.01718675 0.00000000
0.02152030 0.00000000 -0.01718675 0.00000000 0.09711484 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 -0.625000000 -0.375000000 )
1 1
0.09711484 0.00000000 0.01718675 0.00000000 0.02152030 0.00000000
0.01718675 0.00000000 0.13935242 0.00000000 0.04992512 0.00000000
0.02152030 0.00000000 0.04992512 0.00000000 0.09131572 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 -0.625000000 0.375000000 )
1 1
0.09711484 0.00000000 -0.01718675 0.00000000 0.02152030 0.00000000
-0.01718675 0.00000000 0.13935242 0.00000000 -0.04992512 0.00000000
0.02152030 0.00000000 -0.04992512 0.00000000 0.09131572 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.125000000 0.625000000 0.375000000 )
1 1
0.09711484 0.00000000 -0.01718675 0.00000000 -0.02152030 0.00000000
-0.01718675 0.00000000 0.13935242 0.00000000 0.04992512 0.00000000
-0.02152030 0.00000000 0.04992512 0.00000000 0.09131572 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.125000000 0.625000000 -0.375000000 )
1 1
0.09711484 0.00000000 0.01718675 0.00000000 -0.02152030 0.00000000
0.01718675 0.00000000 0.13935242 0.00000000 -0.04992512 0.00000000
-0.02152030 0.00000000 -0.04992512 0.00000000 0.09131572 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.625000000 -0.375000000 -0.125000000 )
1 1
0.13935242 0.00000000 0.04992512 0.00000000 0.01718675 0.00000000
0.04992512 0.00000000 0.09131572 0.00000000 0.02152030 0.00000000
0.01718675 0.00000000 0.02152030 0.00000000 0.09711484 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.625000000 0.375000000 0.125000000 )
1 1
0.13935242 0.00000000 -0.04992512 0.00000000 -0.01718675 0.00000000
-0.04992512 0.00000000 0.09131572 0.00000000 0.02152030 0.00000000
-0.01718675 0.00000000 0.02152030 0.00000000 0.09711484 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.625000000 0.375000000 -0.125000000 )
1 1
0.13935242 0.00000000 0.04992512 0.00000000 -0.01718675 0.00000000
0.04992512 0.00000000 0.09131572 0.00000000 -0.02152030 0.00000000
-0.01718675 0.00000000 -0.02152030 0.00000000 0.09711484 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.625000000 -0.375000000 0.125000000 )
1 1
0.13935242 0.00000000 -0.04992512 0.00000000 0.01718675 0.00000000
-0.04992512 0.00000000 0.09131572 0.00000000 -0.02152030 0.00000000
0.01718675 0.00000000 -0.02152030 0.00000000 0.09711484 0.00000000
Diagonalizing the dynamical matrix
q = ( 0.375000000 0.125000000 0.625000000 )
**************************************************************************
freq ( 1) = 5.030037 [THz] = 167.783975 [cm-1]
( 0.847734 0.000000 -0.259805 0.000000 -0.462438 0.000000 )
freq ( 2) = 6.336912 [THz] = 211.376636 [cm-1]
( -0.065307 0.000000 -0.916321 0.000000 0.395083 0.000000 )
freq ( 3) = 8.877410 [THz] = 296.118540 [cm-1]
( 0.526386 0.000000 0.304725 0.000000 0.793764 0.000000 )
**************************************************************************
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