quantum-espresso/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.57.3

39 lines
1.4 KiB
Groff

3.5000000000000003E-002 0.61042553517654896 2.4552261515711216
4
Dynamical Matrix in cartesian axes
q = ( 0.500000000 -0.500000000 0.500000000 )
1 1
0.06437077 0.00000000 -0.04532672 0.00000000 0.04532672 0.00000000
-0.04532672 0.00000000 0.06437077 0.00000000 -0.04532672 0.00000000
0.04532672 0.00000000 -0.04532672 0.00000000 0.06437077 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.500000000 0.500000000 0.500000000 )
1 1
0.06437077 0.00000000 0.04532672 0.00000000 0.04532672 0.00000000
0.04532672 0.00000000 0.06437077 0.00000000 0.04532672 0.00000000
0.04532672 0.00000000 0.04532672 0.00000000 0.06437077 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.500000000 0.500000000 0.500000000 )
1 1
0.06437077 0.00000000 -0.04532672 0.00000000 -0.04532672 0.00000000
-0.04532672 0.00000000 0.06437077 0.00000000 0.04532672 0.00000000
-0.04532672 0.00000000 0.04532672 0.00000000 0.06437077 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.500000000 0.500000000 -0.500000000 )
1 1
0.06437077 0.00000000 0.04532672 0.00000000 -0.04532672 0.00000000
0.04532672 0.00000000 0.06437077 0.00000000 -0.04532672 0.00000000
-0.04532672 0.00000000 -0.04532672 0.00000000 0.06437077 0.00000000