Input 03-xc.gga_x_mpw91.inp
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run foss-serial-debug: [foss2023a-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 | -3.203731000000000e-01 | -3.203694350000000e-01 | 3.990000000000000e-06 | -3.665000000041552e-06 | PASS |
| gga_x_mpw91 Int[n*v_xc] | -4.065108800000000e-01 | -4.065063800000000e-01 | 4.890000000000000e-06 | -4.500000000018378e-06 | PASS |