Input 03-xc.gga_x_mpw91.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_ppc_autotools: [foss2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_mpw91 Eigenvalue up | -9.707730000000000e-01 | -9.707330000000001e-01 | 4.400000000000000e-05 | -3.999999999992898e-05 | PASS |
| gga_x_mpw91 Eigenvalue dn | -8.189620000000000e-01 | -8.189245000000001e-01 | 4.120000000000000e-05 | -3.749999999991260e-05 | PASS |
| gga_x_mpw91 Exchange | -3.203730400000000e-01 | -3.203694350000000e-01 | 3.990000000000000e-06 | -3.605000000017622e-06 | PASS |
| gga_x_mpw91 Int[n*v_xc] | -4.065108100000000e-01 | -4.065063800000000e-01 | 4.890000000000000e-06 | -4.429999999999712e-06 | PASS |