quantum-espresso/PHonon/examples/Recover_example/reference_1/elph_dir/a2Fq2r.51.6

111 lines
4.1 KiB
Groff

5.0000000000000001E-003 0.61164057905012026 1.3392103897718468
12
Dynamical Matrix in cartesian axes
q = ( 0.500000000 0.000000000 0.500000000 )
1 1
0.29127179 0.00000000 0.00000000 0.00000000 0.28793964 0.00000000
0.00000000 0.00000000 0.01455763 0.00000000 0.00000000 0.00000000
0.28793964 0.00000000 0.00000000 0.00000000 0.29127179 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.500000000 0.000000000 0.500000000 )
1 1
0.29127179 -0.00000000 0.00000000 -0.00000000 -0.28793964 0.00000000
0.00000000 -0.00000000 0.01455763 -0.00000000 -0.00000000 0.00000000
-0.28793964 0.00000000 0.00000000 0.00000000 0.29127179 -0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.500000000 0.000000000 -0.500000000 )
1 1
0.29127179 0.00000000 0.00000000 0.00000000 0.28793964 0.00000000
0.00000000 0.00000000 0.01455763 0.00000000 0.00000000 0.00000000
0.28793964 0.00000000 0.00000000 0.00000000 0.29127179 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.500000000 0.000000000 -0.500000000 )
1 1
0.29127179 -0.00000000 0.00000000 -0.00000000 -0.28793964 0.00000000
0.00000000 -0.00000000 0.01455763 -0.00000000 -0.00000000 0.00000000
-0.28793964 0.00000000 0.00000000 0.00000000 0.29127179 -0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.000000000 0.500000000 -0.500000000 )
1 1
0.01455763 0.00000000 -0.00000000 0.00000000 -0.00000000 0.00000000
0.00000000 0.00000000 0.29127179 0.00000000 -0.28793964 0.00000000
-0.00000000 0.00000000 -0.28793964 0.00000000 0.29127179 0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.500000000 0.500000000 0.000000000 )
1 1
0.29127179 -0.00000000 -0.28793964 0.00000000 0.00000000 -0.00000000
-0.28793964 0.00000000 0.29127179 -0.00000000 0.00000000 0.00000000
0.00000000 -0.00000000 0.00000000 0.00000000 0.01455763 -0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.000000000 0.500000000 0.500000000 )
1 1
0.01455763 -0.00000000 0.00000000 -0.00000000 -0.00000000 -0.00000000
0.00000000 -0.00000000 0.29127179 -0.00000000 0.28793964 -0.00000000
0.00000000 -0.00000000 0.28793964 -0.00000000 0.29127179 -0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.000000000 -0.500000000 -0.500000000 )
1 1
0.01455763 -0.00000000 0.00000000 -0.00000000 -0.00000000 -0.00000000
0.00000000 -0.00000000 0.29127179 -0.00000000 0.28793964 -0.00000000
0.00000000 -0.00000000 0.28793964 -0.00000000 0.29127179 -0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.500000000 0.500000000 0.000000000 )
1 1
0.29127179 0.00000000 0.28793964 0.00000000 -0.00000000 0.00000000
0.28793964 0.00000000 0.29127179 0.00000000 -0.00000000 0.00000000
-0.00000000 0.00000000 0.00000000 0.00000000 0.01455763 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.500000000 -0.500000000 0.000000000 )
1 1
0.29127179 -0.00000000 -0.28793964 0.00000000 0.00000000 -0.00000000
-0.28793964 0.00000000 0.29127179 -0.00000000 0.00000000 0.00000000
0.00000000 -0.00000000 0.00000000 0.00000000 0.01455763 -0.00000000
Dynamical Matrix in cartesian axes
q = ( -0.500000000 -0.500000000 0.000000000 )
1 1
0.29127179 0.00000000 0.28793964 0.00000000 -0.00000000 0.00000000
0.28793964 0.00000000 0.29127179 0.00000000 -0.00000000 0.00000000
-0.00000000 0.00000000 0.00000000 0.00000000 0.01455763 0.00000000
Dynamical Matrix in cartesian axes
q = ( 0.000000000 -0.500000000 0.500000000 )
1 1
0.01455763 0.00000000 -0.00000000 0.00000000 -0.00000000 0.00000000
0.00000000 0.00000000 0.29127179 0.00000000 -0.28793964 0.00000000
-0.00000000 0.00000000 -0.28793964 0.00000000 0.29127179 0.00000000