Input 03-xc.gga_x_mpbe.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_mpbe Eigenvalue up | -9.694990000000000e-01 | -9.694594999999999e-01 | 4.350000000000000e-05 | -3.950000000008114e-05 | PASS |
| gga_x_mpbe Eigenvalue dn | -8.182920000000000e-01 | -8.182545000000000e-01 | 4.130000000000000e-05 | -3.750000000002363e-05 | PASS |
| gga_x_mpbe Exchange | -3.188882400000000e-01 | -3.188845950000000e-01 | 4.000000000000000e-06 | -3.644999999996568e-06 | PASS |
| gga_x_mpbe Int[n*v_xc] | -4.053583400000000e-01 | -4.053538900000000e-01 | 4.890000000000000e-06 | -4.449999999989185e-06 | PASS |