Input 03-xc.gga_x_b88.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_b88 Eigenvalue up | -9.713360000000000e-01 | -9.712959999999999e-01 | 4.400000000000000e-05 | -4.000000000004000e-05 | PASS |
| gga_x_b88 Eigenvalue dn | -8.205460000000000e-01 | -8.205080000000000e-01 | 4.180000000000000e-05 | -3.799999999998249e-05 | PASS |
| gga_x_b88 Exchange | -3.228365300000000e-01 | -3.228328750000000e-01 | 4.020000000000000e-06 | -3.654999999991304e-06 | PASS |
| gga_x_b88 Int[n*v_xc] | -4.072782000000000e-01 | -4.072737350000000e-01 | 4.900000000000000e-06 | -4.465000000009045e-06 | PASS |