quantum-espresso/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.56.3

39 lines
1.4 KiB
Groff

2.9999999999999999E-002 0.61086903828927275 2.3960294077025246
4
Dynamical Matrix in cartesian axes
q = ( 0.500000000 -0.500000000 0.500000000 )
1 1
0.06085334 0.00000000 -0.04276975 0.00000000 0.04276975 0.00000000
-0.04276975 0.00000000 0.06085334 0.00000000 -0.04276975 0.00000000
0.04276975 0.00000000 -0.04276975 0.00000000 0.06085334 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.500000000 0.500000000 0.500000000 )
1 1
0.06085334 0.00000000 0.04276975 0.00000000 0.04276975 0.00000000
0.04276975 0.00000000 0.06085334 0.00000000 0.04276975 0.00000000
0.04276975 0.00000000 0.04276975 0.00000000 0.06085334 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.500000000 0.500000000 0.500000000 )
1 1
0.06085334 0.00000000 -0.04276975 0.00000000 -0.04276975 0.00000000
-0.04276975 0.00000000 0.06085334 0.00000000 0.04276975 0.00000000
-0.04276975 0.00000000 0.04276975 0.00000000 0.06085334 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.500000000 0.500000000 -0.500000000 )
1 1
0.06085334 0.00000000 0.04276975 0.00000000 -0.04276975 0.00000000
0.04276975 0.00000000 0.06085334 0.00000000 -0.04276975 0.00000000
-0.04276975 0.00000000 -0.04276975 0.00000000 0.06085334 0.00000000