quantum-espresso/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.60.3

39 lines
1.4 KiB
Groff

5.0000000000000003E-002 0.60941798454057738 2.5895821913094319
4
Dynamical Matrix in cartesian axes
q = ( 0.500000000 -0.500000000 0.500000000 )
1 1
0.07135847 0.00000000 -0.05030487 0.00000000 0.05030487 0.00000000
-0.05030487 0.00000000 0.07135847 0.00000000 -0.05030487 0.00000000
0.05030487 0.00000000 -0.05030487 0.00000000 0.07135847 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.500000000 0.500000000 0.500000000 )
1 1
0.07135847 0.00000000 0.05030487 0.00000000 0.05030487 0.00000000
0.05030487 0.00000000 0.07135847 0.00000000 0.05030487 0.00000000
0.05030487 0.00000000 0.05030487 0.00000000 0.07135847 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.500000000 0.500000000 0.500000000 )
1 1
0.07135847 0.00000000 -0.05030487 0.00000000 -0.05030487 0.00000000
-0.05030487 0.00000000 0.07135847 0.00000000 0.05030487 0.00000000
-0.05030487 0.00000000 0.05030487 0.00000000 0.07135847 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.500000000 0.500000000 -0.500000000 )
1 1
0.07135847 0.00000000 0.05030487 0.00000000 -0.05030487 0.00000000
0.05030487 0.00000000 0.07135847 0.00000000 -0.05030487 0.00000000
-0.05030487 0.00000000 -0.05030487 0.00000000 0.07135847 0.00000000