quantum-espresso/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.55.4

57 lines
2.1 KiB
Groff

2.5000000000000001E-002 0.61135159280271389 2.3298032981725334
6
Dynamical Matrix in cartesian axes
q = ( 0.000000000 0.500000000 0.000000000 )
1 1
0.02130697 0.00000000 0.00000000 -0.00000000 0.00000000 -0.00000000
0.00000000 0.00000000 0.06462007 -0.00000000 0.00000000 0.00000000
0.00000000 -0.00000000 0.00000000 -0.00000000 0.02130697 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.000000000 -0.500000000 0.000000000 )
1 1
0.02130697 0.00000000 0.00000000 -0.00000000 0.00000000 -0.00000000
0.00000000 0.00000000 0.06462007 -0.00000000 0.00000000 -0.00000000
0.00000000 -0.00000000 0.00000000 0.00000000 0.02130697 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.500000000 0.000000000 0.000000000 )
1 1
0.06462007 -0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 -0.00000000 0.02130697 0.00000000 -0.00000000 0.00000000
0.00000000 -0.00000000 0.00000000 0.00000000 0.02130697 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.000000000 0.000000000 0.500000000 )
1 1
0.02130697 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000
-0.00000000 -0.00000000 0.02130697 0.00000000 0.00000000 -0.00000000
-0.00000000 -0.00000000 0.00000000 -0.00000000 0.06462007 -0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.000000000 0.000000000 -0.500000000 )
1 1
0.02130697 0.00000000 0.00000000 -0.00000000 0.00000000 -0.00000000
0.00000000 -0.00000000 0.02130697 0.00000000 0.00000000 0.00000000
-0.00000000 0.00000000 0.00000000 0.00000000 0.06462007 -0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.500000000 0.000000000 0.000000000 )
1 1
0.06462007 -0.00000000 0.00000000 -0.00000000 0.00000000 -0.00000000
0.00000000 -0.00000000 0.02130697 0.00000000 -0.00000000 0.00000000
0.00000000 -0.00000000 0.00000000 0.00000000 0.02130697 0.00000000