Input 03-xc.gga_xc_hcth_407.inp
Commits >
Commit 235dfa244e23366de619648bda83df5634b8df23 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_xc_hcth_407 Eigenvalue up | -9.975430000000000e-01 | -9.975035000000000e-01 | 4.340000000000000e-05 | -3.949999999997011e-05 | PASS |
| gga_xc_hcth_407 Eigenvalue dn | -8.778300000000000e-01 | -8.777904999999999e-01 | 4.350000000000000e-05 | -3.950000000008114e-05 | PASS |
| gga_xc_hcth_407 Correlation | -3.465747100000000e-01 | -3.465708850000000e-01 | 4.210000000000000e-06 | -3.825000000012846e-06 | PASS |
| gga_xc_hcth_407 Int[n*v_xc] | -4.397006800000000e-01 | -4.396959650000000e-01 | 5.190000000000000e-06 | -4.715000000043990e-06 | PASS |