Input 03-xc.gga_x_pw91.inp
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run foss_mpi_min_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_pw91 Eigenvalue up | -9.694280000000000e-01 | -9.693879999999999e-01 | 4.400000000000000e-05 | -4.000000000004000e-05 | PASS |
| gga_x_pw91 Eigenvalue dn | -8.165820000000000e-01 | -8.165445000000000e-01 | 4.130000000000000e-05 | -3.750000000002363e-05 | PASS |
| gga_x_pw91 Exchange | -3.171861600000000e-01 | -3.171825800000000e-01 | 3.940000000000000e-06 | -3.580000000003025e-06 | PASS |
| gga_x_pw91 Int[n*v_xc] | -4.049590100000000e-01 | -4.049545750000000e-01 | 4.880000000000000e-06 | -4.435000000024836e-06 | PASS |