Input 03-xc.gga_x_xpbe.inp
Commits >
Commit 9c5e1a9ae4a97d24a493b8c6c0caa96edfef5d41 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_xpbe Eigenvalue up | -9.711850000000000e-01 | -9.711455000000000e-01 | 4.340000000000000e-05 | -3.949999999997011e-05 | PASS |
| gga_x_xpbe Eigenvalue dn | -8.199510000000000e-01 | -8.199130000000000e-01 | 4.180000000000000e-05 | -3.799999999998249e-05 | PASS |
| gga_x_xpbe Exchange | -3.207306500000000e-01 | -3.207269800000000e-01 | 4.040000000000000e-06 | -3.670000000011164e-06 | PASS |
| gga_x_xpbe Int[n*v_xc] | -4.070389000000000e-01 | -4.070344200000000e-01 | 4.930000000000000e-06 | -4.479999999973394e-06 | PASS |