quantum-espresso/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.8

57 lines
2.1 KiB
Groff

2.0000000000000000E-002 0.61182623156463212 2.2497391926057739
6
Dynamical Matrix in cartesian axes
q = ( -0.500000000 -1.000000000 0.000000000 )
1 1
0.03170637 0.00000000 0.00000000 -0.00000000 -0.00000000 -0.00000000
-0.00000000 0.00000000 0.06765436 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000 0.06765436 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.000000000 1.000000000 0.500000000 )
1 1
0.06765436 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000
0.00000000 -0.00000000 0.06765436 0.00000000 0.00000000 -0.00000000
0.00000000 -0.00000000 0.00000000 0.00000000 0.03170637 -0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.000000000 -1.000000000 -0.500000000 )
1 1
0.06765436 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000
0.00000000 -0.00000000 0.06765436 0.00000000 0.00000000 -0.00000000
0.00000000 -0.00000000 0.00000000 0.00000000 0.03170637 -0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.500000000 1.000000000 0.000000000 )
1 1
0.03170637 0.00000000 0.00000000 -0.00000000 -0.00000000 -0.00000000
-0.00000000 0.00000000 0.06765436 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000 0.06765436 0.00000000
Dynamical Matrix in cartesian axes
q = ( -1.000000000 -0.500000000 0.000000000 )
1 1
0.06765436 0.00000000 -0.00000000 -0.00000000 -0.00000000 0.00000000
0.00000000 -0.00000000 0.03170637 -0.00000000 0.00000000 0.00000000
-0.00000000 -0.00000000 -0.00000000 -0.00000000 0.06765436 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.000000000 -0.500000000 -1.000000000 )
1 1
0.06765436 0.00000000 -0.00000000 0.00000000 -0.00000000 0.00000000
0.00000000 -0.00000000 0.03170637 -0.00000000 0.00000000 0.00000000
-0.00000000 -0.00000000 -0.00000000 -0.00000000 0.06765436 0.00000000