quantum-espresso/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.52.4

57 lines
2.1 KiB
Groff

1.0000000000000000E-002 0.61203450603710885 1.8817605071596879
6
Dynamical Matrix in cartesian axes
q = ( 0.000000000 0.500000000 0.000000000 )
1 1
0.00886021 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000
0.00000000 0.00000000 0.02248879 -0.00000000 0.00000000 -0.00000000
-0.00000000 0.00000000 0.00000000 -0.00000000 0.00886021 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.000000000 -0.500000000 0.000000000 )
1 1
0.00886021 0.00000000 0.00000000 0.00000000 -0.00000000 -0.00000000
0.00000000 -0.00000000 0.02248879 -0.00000000 0.00000000 -0.00000000
-0.00000000 0.00000000 0.00000000 -0.00000000 0.00886021 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.500000000 0.000000000 0.000000000 )
1 1
0.02248879 -0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00886021 0.00000000 0.00000000 -0.00000000
0.00000000 0.00000000 0.00000000 -0.00000000 0.00886021 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.000000000 0.000000000 0.500000000 )
1 1
0.00886021 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
-0.00000000 0.00000000 0.00886021 0.00000000 -0.00000000 -0.00000000
0.00000000 -0.00000000 -0.00000000 0.00000000 0.02248879 -0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.000000000 0.000000000 -0.500000000 )
1 1
0.00886021 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
-0.00000000 0.00000000 0.00886021 0.00000000 -0.00000000 -0.00000000
0.00000000 -0.00000000 -0.00000000 0.00000000 0.02248879 -0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.500000000 0.000000000 0.000000000 )
1 1
0.02248879 -0.00000000 0.00000000 -0.00000000 0.00000000 -0.00000000
0.00000000 -0.00000000 0.00886021 0.00000000 0.00000000 -0.00000000
0.00000000 -0.00000000 0.00000000 -0.00000000 0.00886021 0.00000000