quantum-espresso/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.4

57 lines
2.1 KiB
Groff

1.4999999999999999E-002 0.61214241437908834 2.1232294890908663
6
Dynamical Matrix in cartesian axes
q = ( 0.000000000 0.500000000 0.000000000 )
1 1
0.01734507 -0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000
-0.00000000 0.00000000 0.03728477 -0.00000000 0.00000000 0.00000000
0.00000000 -0.00000000 0.00000000 0.00000000 0.01734507 -0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.000000000 -0.500000000 0.000000000 )
1 1
0.01734507 -0.00000000 0.00000000 -0.00000000 0.00000000 -0.00000000
-0.00000000 -0.00000000 0.03728477 -0.00000000 0.00000000 -0.00000000
0.00000000 -0.00000000 -0.00000000 -0.00000000 0.01734507 -0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.500000000 0.000000000 0.000000000 )
1 1
0.03728477 -0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000000
-0.00000000 0.00000000 0.01734507 -0.00000000 -0.00000000 0.00000000
0.00000000 -0.00000000 0.00000000 0.00000000 0.01734507 -0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.000000000 0.000000000 0.500000000 )
1 1
0.01734507 -0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000
0.00000000 -0.00000000 0.01734507 -0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000 0.03728477 -0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.000000000 0.000000000 -0.500000000 )
1 1
0.01734507 -0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000
0.00000000 -0.00000000 0.01734507 -0.00000000 -0.00000000 0.00000000
0.00000000 0.00000000 -0.00000000 0.00000000 0.03728477 -0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.500000000 0.000000000 0.000000000 )
1 1
0.03728477 -0.00000000 0.00000000 0.00000000 -0.00000000 -0.00000000
0.00000000 0.00000000 0.01734507 -0.00000000 0.00000000 0.00000000
-0.00000000 -0.00000000 -0.00000000 0.00000000 0.01734507 -0.00000000