Input 03-xc.gga_xc_mpwlyp1w.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_xc_mpwlyp1w Eigenvalue up | -9.856540000000000e-01 | -9.856140000000000e-01 | 4.400000000000000e-05 | -4.000000000004000e-05 | PASS |
| gga_xc_mpwlyp1w Eigenvalue dn | -8.613189999999999e-01 | -8.612810000000000e-01 | 4.180000000000000e-05 | -3.799999999998249e-05 | PASS |
| gga_xc_mpwlyp1w Correlation | -3.344321200000000e-01 | -3.344284050000000e-01 | 4.100000000000000e-06 | -3.715000000015234e-06 | PASS |
| gga_xc_mpwlyp1w Int[n*v_xc] | -4.268876100000000e-01 | -4.268828900000000e-01 | 5.210000000000000e-06 | -4.719999999958091e-06 | PASS |