Input 03-xc.gga_x_bayesian.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_bayesian Eigenvalue up | -9.674190000000000e-01 | -9.673790000000000e-01 | 4.400000000000000e-05 | -4.000000000004000e-05 | PASS |
| gga_x_bayesian Eigenvalue dn | -8.180070000000000e-01 | -8.179695000000000e-01 | 4.130000000000000e-05 | -3.750000000002363e-05 | PASS |
| gga_x_bayesian Exchange | -3.191685400000000e-01 | -3.191648950000000e-01 | 4.000000000000000e-06 | -3.644999999996568e-06 | PASS |
| gga_x_bayesian Int[n*v_xc] | -4.036368700000000e-01 | -4.036324550000000e-01 | 4.860000000000000e-06 | -4.414999999979852e-06 | PASS |