quantum-espresso/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.4

57 lines
2.1 KiB
Groff

5.0000000000000003E-002 0.60941798454057738 2.5895821913094319
6
Dynamical Matrix in cartesian axes
q = ( 0.000000000 0.500000000 0.000000000 )
1 1
0.03069524 -0.00000000 0.00000000 -0.00000000 -0.00000000 -0.00000000
0.00000000 -0.00000000 0.12085282 -0.00000000 0.00000000 -0.00000000
-0.00000000 -0.00000000 0.00000000 -0.00000000 0.03069524 -0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.000000000 -0.500000000 0.000000000 )
1 1
0.03069524 -0.00000000 0.00000000 0.00000000 -0.00000000 -0.00000000
0.00000000 -0.00000000 0.12085282 -0.00000000 0.00000000 -0.00000000
-0.00000000 0.00000000 0.00000000 0.00000000 0.03069524 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.500000000 0.000000000 0.000000000 )
1 1
0.12085282 -0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.03069524 -0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000 0.03069524 -0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.000000000 0.000000000 0.500000000 )
1 1
0.03069524 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.00000000
-0.00000000 -0.00000000 0.03069524 -0.00000000 -0.00000000 0.00000000
0.00000000 0.00000000 -0.00000000 0.00000000 0.12085282 -0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.000000000 0.000000000 -0.500000000 )
1 1
0.03069524 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.00000000
-0.00000000 -0.00000000 0.03069524 -0.00000000 -0.00000000 0.00000000
0.00000000 -0.00000000 -0.00000000 -0.00000000 0.12085282 -0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.500000000 0.000000000 0.000000000 )
1 1
0.12085282 -0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000
0.00000000 -0.00000000 0.03069524 0.00000000 0.00000000 -0.00000000
0.00000000 0.00000000 0.00000000 0.00000000 0.03069524 -0.00000000