Input 03-xc.gga_xc_hcth_147.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_mpi_min_autotools: [foss2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_xc_hcth_147 Eigenvalue up | -9.949320000000000e-01 | -9.948920000000000e-01 | 4.400000000000000e-05 | -4.000000000004000e-05 | PASS |
| gga_xc_hcth_147 Eigenvalue dn | -8.744210000000000e-01 | -8.743814999999999e-01 | 4.350000000000000e-05 | -3.950000000008114e-05 | PASS |
| gga_xc_hcth_147 Correlation | -3.445582500000000e-01 | -3.445545750000000e-01 | 4.040000000000000e-06 | -3.675000000036288e-06 | PASS |
| gga_xc_hcth_147 Int[n*v_xc] | -4.369299300000000e-01 | -4.369252250000000e-01 | 5.180000000000000e-06 | -4.705000000049253e-06 | PASS |