quantum-espresso/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.54.3

39 lines
1.4 KiB
Groff

2.0000000000000000E-002 0.61182623156463212 2.2497391926057739
4
Dynamical Matrix in cartesian axes
q = ( 0.500000000 -0.500000000 0.500000000 )
1 1
0.04856527 0.00000000 -0.03338566 0.00000000 0.03338566 0.00000000
-0.03338566 0.00000000 0.04856527 0.00000000 -0.03338566 0.00000000
0.03338566 0.00000000 -0.03338566 0.00000000 0.04856527 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.500000000 0.500000000 0.500000000 )
1 1
0.04856527 0.00000000 0.03338566 0.00000000 0.03338566 0.00000000
0.03338566 0.00000000 0.04856527 0.00000000 0.03338566 0.00000000
0.03338566 0.00000000 0.03338566 0.00000000 0.04856527 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.500000000 0.500000000 0.500000000 )
1 1
0.04856527 0.00000000 -0.03338566 0.00000000 -0.03338566 0.00000000
-0.03338566 0.00000000 0.04856527 0.00000000 0.03338566 0.00000000
-0.03338566 0.00000000 0.03338566 0.00000000 0.04856527 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.500000000 0.500000000 -0.500000000 )
1 1
0.04856527 0.00000000 0.03338566 0.00000000 -0.03338566 0.00000000
0.03338566 0.00000000 0.04856527 0.00000000 -0.03338566 0.00000000
-0.03338566 0.00000000 -0.03338566 0.00000000 0.04856527 0.00000000