quantum-espresso/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.3

39 lines
1.4 KiB
Groff

5.0000000000000001E-003 0.61164057905012026 1.3392103897718468
4
Dynamical Matrix in cartesian axes
q = ( 0.500000000 -0.500000000 0.500000000 )
1 1
0.00000873 0.00000000 -0.00000558 0.00000000 0.00000558 0.00000000
-0.00000558 0.00000000 0.00000873 0.00000000 -0.00000558 0.00000000
0.00000558 0.00000000 -0.00000558 0.00000000 0.00000873 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.500000000 0.500000000 0.500000000 )
1 1
0.00000873 0.00000000 0.00000558 0.00000000 0.00000558 0.00000000
0.00000558 0.00000000 0.00000873 0.00000000 0.00000558 0.00000000
0.00000558 0.00000000 0.00000558 0.00000000 0.00000873 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.500000000 0.500000000 0.500000000 )
1 1
0.00000873 0.00000000 -0.00000558 0.00000000 -0.00000558 0.00000000
-0.00000558 0.00000000 0.00000873 0.00000000 0.00000558 0.00000000
-0.00000558 0.00000000 0.00000558 0.00000000 0.00000873 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.500000000 0.500000000 -0.500000000 )
1 1
0.00000873 0.00000000 0.00000558 0.00000000 -0.00000558 0.00000000
0.00000558 0.00000000 0.00000873 0.00000000 -0.00000558 0.00000000
-0.00000558 0.00000000 -0.00000558 0.00000000 0.00000873 0.00000000