quantum-espresso/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.58.7

30 lines
1.1 KiB
Groff

4.0000000000000001E-002 0.61003553144081624 2.5078731500767093
3
Dynamical Matrix in cartesian axes
q = ( 0.000000000 -1.000000000 0.000000000 )
1 1
0.05020884 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
-0.00000000 0.00000000 0.16367913 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000 0.05020884 0.00000000
Dynamical Matrix in cartesian axes
q = ( -1.000000000 0.000000000 0.000000000 )
1 1
0.16367913 0.00000000 -0.00000000 0.00000000 -0.00000000 0.00000000
0.00000000 0.00000000 0.05020884 0.00000000 -0.00000000 0.00000000
0.00000000 0.00000000 -0.00000000 0.00000000 0.05020884 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.000000000 0.000000000 -1.000000000 )
1 1
0.05020884 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.05020884 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000 0.16367913 0.00000000