Input 03-xc.gga_xc_xlyp.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_xc_xlyp Eigenvalue up | -9.855850000000000e-01 | -9.855450000000000e-01 | 4.400000000000000e-05 | -4.000000000004000e-05 | PASS |
| gga_xc_xlyp Eigenvalue dn | -8.601799999999999e-01 | -8.601420000000000e-01 | 4.180000000000000e-05 | -3.799999999998249e-05 | PASS |
| gga_xc_xlyp Correlation | -3.350608400000000e-01 | -3.350570800000000e-01 | 4.140000000000000e-06 | -3.760000000019303e-06 | PASS |
| gga_xc_xlyp Int[n*v_xc] | -4.266043100000000e-01 | -4.265995350000000e-01 | 5.250000000000000e-06 | -4.774999999956897e-06 | PASS |