Input 03-xc.gga_x_g96.inp
Commits >
Commit 3f3300a09a325083399ad405019c399609c6d1c2 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_g96 Eigenvalue up | -9.721860000000000e-01 | -9.721465000000000e-01 | 4.340000000000000e-05 | -3.949999999997011e-05 | PASS |
| gga_x_g96 Eigenvalue dn | -8.222070000000000e-01 | -8.221695000000000e-01 | 4.130000000000000e-05 | -3.750000000002363e-05 | PASS |
| gga_x_g96 Exchange | -3.265529500000000e-01 | -3.265492950000000e-01 | 4.020000000000000e-06 | -3.654999999991304e-06 | PASS |
| gga_x_g96 Int[n*v_xc] | -4.082908800000000e-01 | -4.082864750000000e-01 | 4.850000000000000e-06 | -4.404999999985115e-06 | PASS |