quantum-espresso/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.6

111 lines
4.1 KiB
Groff

5.0000000000000003E-002 0.60941798454057738 2.5895821913094319
12
Dynamical Matrix in cartesian axes
q = ( 0.500000000 0.000000000 0.500000000 )
1 1
0.09628088 0.00000000 0.00000000 0.00000000 0.08679784 0.00000000
0.00000000 -0.00000000 0.06540526 0.00000000 0.00000000 -0.00000000
0.08679784 0.00000000 0.00000000 0.00000000 0.09628088 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.500000000 0.000000000 0.500000000 )
1 1
0.09628088 0.00000000 -0.00000000 0.00000000 -0.08679784 -0.00000000
0.00000000 0.00000000 0.06540526 0.00000000 0.00000000 -0.00000000
-0.08679784 -0.00000000 -0.00000000 -0.00000000 0.09628088 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.500000000 0.000000000 -0.500000000 )
1 1
0.09628088 0.00000000 0.00000000 0.00000000 0.08679784 0.00000000
0.00000000 0.00000000 0.06540526 0.00000000 0.00000000 0.00000000
0.08679784 0.00000000 0.00000000 0.00000000 0.09628088 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.500000000 0.000000000 -0.500000000 )
1 1
0.09628088 0.00000000 -0.00000000 0.00000000 -0.08679784 -0.00000000
0.00000000 -0.00000000 0.06540526 0.00000000 0.00000000 0.00000000
-0.08679784 -0.00000000 -0.00000000 -0.00000000 0.09628088 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.000000000 0.500000000 -0.500000000 )
1 1
0.06540526 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.09628088 0.00000000 -0.08679784 0.00000000
0.00000000 -0.00000000 -0.08679784 0.00000000 0.09628088 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.500000000 0.500000000 0.000000000 )
1 1
0.09628088 0.00000000 -0.08679784 -0.00000000 0.00000000 0.00000000
-0.08679784 -0.00000000 0.09628088 0.00000000 0.00000000 -0.00000000
-0.00000000 0.00000000 -0.00000000 -0.00000000 0.06540526 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.000000000 0.500000000 0.500000000 )
1 1
0.06540526 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000
0.00000000 0.00000000 0.09628088 0.00000000 0.08679784 0.00000000
-0.00000000 0.00000000 0.08679784 0.00000000 0.09628088 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.000000000 -0.500000000 -0.500000000 )
1 1
0.06540526 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000
-0.00000000 0.00000000 0.09628088 0.00000000 0.08679784 0.00000000
0.00000000 0.00000000 0.08679784 0.00000000 0.09628088 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.500000000 0.500000000 0.000000000 )
1 1
0.09628088 0.00000000 0.08679784 0.00000000 0.00000000 0.00000000
0.08679784 0.00000000 0.09628088 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000 0.06540526 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.500000000 -0.500000000 0.000000000 )
1 1
0.09628088 0.00000000 -0.08679784 -0.00000000 0.00000000 0.00000000
-0.08679784 -0.00000000 0.09628088 0.00000000 0.00000000 -0.00000000
0.00000000 0.00000000 -0.00000000 -0.00000000 0.06540526 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.500000000 -0.500000000 0.000000000 )
1 1
0.09628088 0.00000000 0.08679784 0.00000000 0.00000000 0.00000000
0.08679784 0.00000000 0.09628088 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000 0.06540526 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.000000000 -0.500000000 0.500000000 )
1 1
0.06540526 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.09628088 0.00000000 -0.08679784 0.00000000
0.00000000 0.00000000 -0.08679784 0.00000000 0.09628088 0.00000000