Input 03-xc.gga_x_lg93.inp

Commits > Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a > Run foss_cuda_autotools: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
gga_x_lg93 Eigenvalue up -9.713380000000000e-01 -9.713780000000001e-01 4.400000000000000e-05 4.000000000004000e-05 PASS
gga_x_lg93 Eigenvalue dn -8.203190000000000e-01 -8.203575000000001e-01 4.230000000000000e-05 3.850000000005238e-05 PASS
gga_x_lg93 Exchange -3.208373000000000e-01 -3.208410700000000e-01 4.140000000000000e-06 3.770000000014040e-06 PASS
gga_x_lg93 Int[n*v_xc] -4.073044500000000e-01 -4.073090900000000e-01 5.080000000000000e-06 4.640000000000200e-06 PASS
Compare to other inputs