mirror of https://gitlab.com/QEF/q-e.git
47 lines
2.1 KiB
Plaintext
47 lines
2.1 KiB
Plaintext
Atom 1 Co
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... s_up, s_down
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-0.6240522584E+00 -0.6694752508E+00
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... {p_up}, {p_down}
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-0.2513920395E+00 -0.2758562262E+00
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-0.4265821649E+00 -0.4464514967E+00
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-0.4164733757E+00 -0.4340816054E+00
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... {d_up}, {d_down}
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-0.2533037730E+01 -0.8059386798E+00
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-0.2409285239E+01 -0.7522884235E+00
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-0.2409811125E+01 -0.7550117026E+00
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-0.2393952870E+01 -0.9649162133E+00
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-0.2403336132E+01 -0.9613320473E+00
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eband_atom (eV) = 1 -0.1993327458E+02
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Atom 2 Co
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... s_up, s_down
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-0.6460937521E+00 -0.7210627489E+00
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... {p_up}, {p_down}
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-0.5491814511E+00 -0.5939231364E+00
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-0.5684377496E+00 -0.6110019122E+00
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-0.5422255594E+00 -0.5891123476E+00
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... {d_up}, {d_down}
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-0.2570855903E+01 -0.1235983875E+01
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-0.2632658471E+01 -0.1037861331E+01
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-0.2634933892E+01 -0.1036733694E+01
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-0.2543104156E+01 -0.1107383741E+01
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-0.2547804802E+01 -0.1106283841E+01
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eband_atom (eV) = 2 -0.2327464236E+02
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Atom 3 Co
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... s_up, s_down
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-0.6240193741E+00 -0.6694710113E+00
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... {p_up}, {p_down}
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-0.2513815926E+00 -0.2758438716E+00
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-0.4265617048E+00 -0.4464384680E+00
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-0.4164538612E+00 -0.4340692695E+00
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... {d_up}, {d_down}
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-0.2533000261E+01 -0.8058742596E+00
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-0.2409396601E+01 -0.7522667046E+00
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-0.2409921809E+01 -0.7549906792E+00
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-0.2393996095E+01 -0.9648908390E+00
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-0.2403378736E+01 -0.9613065499E+00
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eband_atom (eV) = 3 -0.1993326169E+02
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eband_tot, eband_proj_tot (eV) = -0.6322880660E+02 -0.6314117863E+02
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