(略) End of self-consistent calculation --- enter write_ns --- LDA+U parameters: U( 2) = 4.00000000 alpha( 2) = 0.00000000 U( 3) = 4.00000000 alpha( 3) = 0.00000000 atom 3 Tr[ns(na)] (up, down, total) = 4.98974 1.73816 6.72790 spin 1 eigenvalues: 0.996 0.996 0.999 1.000 1.000 eigenvectors: 0.680 0.304 0.000 0.004 0.012 0.009 0.002 0.333 0.656 0.000 0.000 0.011 0.333 0.164 0.492 0.304 0.680 0.000 0.012 0.004 0.007 0.003 0.333 0.164 0.492 occupations: 0.996 -0.000 -0.000 -0.000 -0.000 -0.000 0.999 -0.000 -0.000 0.000 -0.000 -0.000 0.999 0.000 0.000 -0.000 -0.000 0.000 0.996 -0.000 -0.000 0.000 0.000 -0.000 0.999 spin 2 eigenvalues: 0.099 0.221 0.221 0.599 0.599 eigenvectors: 0.000 0.544 0.342 0.008 0.105 0.333 0.066 0.010 0.555 0.036 0.333 0.002 0.074 0.287 0.303 0.000 0.342 0.544 0.105 0.008 0.333 0.047 0.029 0.044 0.547 occupations: 0.264 -0.049 -0.049 -0.000 -0.098 -0.049 0.403 -0.152 -0.085 0.152 -0.049 -0.152 0.403 0.085 0.152 -0.000 -0.085 0.085 0.264 -0.000 -0.098 0.152 0.152 -0.000 0.403 atomic mag. moment = 3.251583 (略)