T T F F F F None cubic F (fcc) 1.020000000000000E+001 1.020000000000000E+001 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 -5.100000000000000E+000 0.000000000000000E+000 5.100000000000000E+000 0.000000000000000E+000 5.100000000000000E+000 5.100000000000000E+000 -5.100000000000000E+000 5.100000000000000E+000 0.000000000000000E+000 -1.000000000000000E+000 -1.000000000000000E+000 1.000000000000000E+000 1.000000000000000E+000 1.000000000000000E+000 1.000000000000000E+000 -1.000000000000000E+000 1.000000000000000E+000 -1.000000000000000E+000 2 1 Si 2.808600000000000E+001 Si.pz-vbc.UPF /mit/espresso_v6.1/amd64_ubuntu1404/qe-6.1/pseudo/ 24 48 F F T F 2 1 0 0 0 1 0 0 0 1 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 1 2 0 1 0 1 0 0 -1 -1 -1 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 1 2 -1 -1 -1 0 0 1 0 1 0 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 1 2 0 0 1 -1 -1 -1 1 0 0 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 1 2 -1 -1 -1 0 1 0 1 0 0 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 1 2 0 0 1 1 0 0 0 1 0 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 1 2 1 0 0 0 0 1 -1 -1 -1 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 1 2 0 1 0 -1 -1 -1 0 0 1 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 1 2 0 0 1 0 1 0 -1 -1 -1 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 1 2 -1 -1 -1 1 0 0 0 0 1 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 1 2 0 1 0 0 0 1 1 0 0 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 1 2 1 0 0 -1 -1 -1 0 1 0 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 1 2 0 1 0 1 0 0 0 0 1 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 1 2 1 0 0 0 1 0 -1 -1 -1 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 1 2 0 0 1 -1 -1 -1 0 1 0 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 1 2 -1 -1 -1 0 0 1 1 0 0 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 1 2 1 0 0 0 0 1 0 1 0 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 1 2 -1 -1 -1 0 1 0 0 0 1 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 1 2 0 1 0 -1 -1 -1 1 0 0 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 1 2 0 0 1 1 0 0 -1 -1 -1 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 1 2 1 0 0 -1 -1 -1 0 0 1 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 1 2 0 0 1 0 1 0 1 0 0 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 1 2 0 1 0 0 0 1 -1 -1 -1 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 1 2 -1 -1 -1 1 0 0 0 1 0 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 1 2 -1 0 0 0 -1 0 0 0 -1 0 -1 0 -1 0 0 1 1 1 1 1 1 0 0 -1 0 -1 0 0 0 -1 1 1 1 -1 0 0 -1 0 0 1 1 1 0 0 -1 0 0 -1 0 -1 0 -1 0 0 0 -1 0 0 0 -1 1 1 1 1 1 1 -1 0 0 0 -1 0 0 -1 0 -1 0 0 0 0 -1 -1 0 0 0 -1 0 1 1 1 0 0 -1 1 1 1 0 -1 0 1 1 1 0 0 -1 -1 0 0 -1 0 0 0 0 -1 0 -1 0 1 1 1 0 -1 0 0 0 -1 0 -1 0 1 1 1 -1 0 0 0 0 -1 -1 0 0 1 1 1 1 1 1 0 -1 0 -1 0 0 0 0 -1 -1 0 0 0 -1 0 -1 0 0 0 0 -1 1 1 1 0 -1 0 1 1 1 0 0 -1 0 0 -1 0 -1 0 1 1 1 1 1 1 -1 0 0 0 0 -1 0 -1 0 0 0 -1 -1 0 0 -1 0 0 1 1 1 0 -1 0 F F 1 5.000000000000000E-001 1.000000000000000E-001 0.000000000000000E+000 F 5.000000000000000E-001 F F 4.499999880790710E-001 5.500000119209290E-001 0.000000000000000E+000 6.000000000000000E+000 2.400000000000000E+001 186 F 1459 1459 F F F F 0 1 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 F B86BPBE F F 4 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 pbc F F F 2 2 0.000000000000000E+000 1 1 1 1 1 1 1 2 1 F 8 4 8.000000000000000E+000 2.027943294821832E-001 2.500000000000000E-001 2.500000000000000E-001 2.500000000000000E-001 5.000000000000000E-001 2.500000000000000E-001 2.500000000000000E-001 7.500000000000000E-001 1.500000000000000E+000 186 180 186