Input 03-xc.gga_xc_hcth_93.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_xc_hcth_93 Eigenvalue up | -9.919480000000001e-01 | -9.919875000000000e-01 | 4.340000000000000e-05 | 3.949999999997011e-05 | PASS |
| gga_xc_hcth_93 Eigenvalue dn | -8.743860000000000e-01 | -8.744250000000000e-01 | 4.290000000000000e-05 | 3.900000000001125e-05 | PASS |
| gga_xc_hcth_93 Correlation | -3.447033800000000e-01 | -3.447071250000000e-01 | 4.120000000000000e-06 | 3.744999999999443e-06 | PASS |
| gga_xc_hcth_93 Int[n*v_xc] | -4.346054600000000e-01 | -4.346100900000000e-01 | 5.090000000000000e-06 | 4.630000000005463e-06 | PASS |