quantum-espresso/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.7

30 lines
1.1 KiB
Groff

5.0000000000000001E-003 0.61164057905012026 1.3392103897718468
3
Dynamical Matrix in cartesian axes
q = ( 0.000000000 -1.000000000 0.000000000 )
1 1
0.00545378 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00010167 0.00000000 0.00000000 0.00000000
-0.00000000 0.00000000 0.00000000 0.00000000 0.00545378 0.00000000
Dynamical Matrix in cartesian axes
q = ( -1.000000000 0.000000000 0.000000000 )
1 1
0.00010167 0.00000000 -0.00000000 0.00000000 -0.00000000 0.00000000
0.00000000 0.00000000 0.00545378 0.00000000 0.00000000 0.00000000
-0.00000000 0.00000000 -0.00000000 0.00000000 0.00545378 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.000000000 0.000000000 -1.000000000 )
1 1
0.00545378 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000
0.00000000 0.00000000 0.00545378 0.00000000 0.00000000 0.00000000
-0.00000000 0.00000000 0.00000000 0.00000000 0.00010167 0.00000000