quantum-espresso/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.53.3

39 lines
1.4 KiB
Groff

1.4999999999999999E-002 0.61214241437908834 2.1232294890908663
4
Dynamical Matrix in cartesian axes
q = ( 0.500000000 -0.500000000 0.500000000 )
1 1
0.03696202 0.00000000 -0.02477336 0.00000000 0.02477336 0.00000000
-0.02477336 0.00000000 0.03696202 0.00000000 -0.02477336 0.00000000
0.02477336 0.00000000 -0.02477336 0.00000000 0.03696202 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.500000000 0.500000000 0.500000000 )
1 1
0.03696202 0.00000000 0.02477336 0.00000000 0.02477336 0.00000000
0.02477336 0.00000000 0.03696202 0.00000000 0.02477336 0.00000000
0.02477336 0.00000000 0.02477336 0.00000000 0.03696202 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.500000000 0.500000000 0.500000000 )
1 1
0.03696202 0.00000000 -0.02477336 0.00000000 -0.02477336 0.00000000
-0.02477336 0.00000000 0.03696202 0.00000000 0.02477336 0.00000000
-0.02477336 0.00000000 0.02477336 0.00000000 0.03696202 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.500000000 0.500000000 -0.500000000 )
1 1
0.03696202 0.00000000 0.02477336 0.00000000 -0.02477336 0.00000000
0.02477336 0.00000000 0.03696202 0.00000000 -0.02477336 0.00000000
-0.02477336 0.00000000 -0.02477336 0.00000000 0.03696202 0.00000000