Input 03-xc.gga_x_lg93.inp
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
Name | Value | Reference | Precision | Difference | Status |
gga_x_lg93 Eigenvalue up | -9.714180000000000e-01 | -9.713780000000001e-01 | 4.400000000000000e-05 | -3.999999999992898e-05 | PASS |
gga_x_lg93 Eigenvalue dn | -8.203960000000000e-01 | -8.203575000000001e-01 | 4.230000000000000e-05 | -3.849999999994136e-05 | PASS |
gga_x_lg93 Exchange | -3.208448700000000e-01 | -3.208410700000000e-01 | 4.140000000000000e-06 | -3.799999999998249e-06 | PASS |
gga_x_lg93 Int[n*v_xc] | -4.073137500000000e-01 | -4.073090900000000e-01 | 5.080000000000000e-06 | -4.659999999989672e-06 | PASS |