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Searched refs:ReOcn11 (Results 1 – 1 of 1) sorted by relevance

/dports/science/openmx/openmx3.8/source/
H A DOccupation_Number_LDA_U.c460 double ReOcn00,ReOcn11,ReOcn01; in occupation_full() local
1110 ReOcn11 = 0.0; in occupation_full()
1136 ReOcn11 += DM0[1][ML_AN][kl][m][n]* in occupation_full()
1162 NC_OcpN[0][1][1][Mc_AN][i][j].r = ReOcn11; in occupation_full()
1385 double ReOcn00,ReOcn11,ReOcn01; in occupation_dual() local
2115 ReOcn11 = 0.0; in occupation_dual()
2133 ReOcn11 += 0.5*( DM0[1][Mc_AN][h_AN][m][k]*OLP[0][Mc_AN][h_AN][n][k] in occupation_dual()
2152 NC_OcpN[0][1][1][Mc_AN][m][n].r = ReOcn11; in occupation_dual()