Input 03-xc.gga_x_optpbe_vdw.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_mpi_min_autotools: [foss2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_optpbe_vdw Eigenvalue up | -9.637880000000000e-01 | -9.637485000000000e-01 | 4.340000000000000e-05 | -3.949999999997011e-05 | PASS |
| gga_x_optpbe_vdw Eigenvalue dn | -8.138290000000000e-01 | -8.137915000000000e-01 | 4.130000000000000e-05 | -3.750000000002363e-05 | PASS |
| gga_x_optpbe_vdw Exchange | -3.146391500000000e-01 | -3.146356050000000e-01 | 3.900000000000000e-06 | -3.544999999993692e-06 | PASS |
| gga_x_optpbe_vdw Int[n*v_xc] | -3.998967700000000e-01 | -3.998924350000000e-01 | 4.760000000000000e-06 | -4.334999999966449e-06 | PASS |