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DOSCAR.lobster.spin
26 lines (26 loc) · 1.96 KB
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DOSCAR.lobster.spin
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3.9892878e+01 3.8353365e-10 3.8353362e-10 3.8353360e-10 5.0000000e-16
1.000000e-04
CAR
DOS and projected DOS file by LOBSTER. Energy is shifted such that the Fermi level lies at 0 eV.
4.60996997 -14.14003003 6 -2.89003003 1.00000000
-11.25000 0.00000 0.00000 1.99997 1.99997
-7.50000 0.79999 0.79999 4.99992 4.99992
-3.75000 0.00000 0.00000 4.99992 4.99992
0.00000 0.79999 0.79999 7.99987 7.99987
3.75000 0.00000 0.00000 7.99987 7.99987
7.50000 0.02577 0.02586 8.09650 8.09685
7.50000000 -11.25000000 6 -2.89003003 1.00000000; Z= 9; 2s 2p_y 2p_z 2p_x
-11.25000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
-7.50000 0.00159 0.00159 0.00160 0.00161 0.00161 0.00160 0.00160 0.00161
-3.75000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
0.00000 0.00011 0.00011 0.25801 0.25819 0.25823 0.25795 0.25805 0.25814
3.75000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
7.50000 0.00069 0.00069 0.00029 0.00029 0.00029 0.00029 0.00029 0.00029
7.50000000 -11.25000000 6 -2.89003003 1.00000000; Z= 19; 3s 4s 3p_y 3p_z 3p_x
-11.25000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
-7.50000 0.00000 0.00000 0.00018 0.00018 0.26447 0.26446 0.26446 0.26447 0.26447 0.26446
-3.75000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
0.00000 0.00008 0.00008 0.02035 0.02036 0.00172 0.00172 0.00172 0.00172 0.00172 0.00172
3.75000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
7.50000 0.00007 0.00007 0.02411 0.02420 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000