Input 03-xc.gga_x_optb88_vdw.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_mpi_autotools: [foss2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_optb88_vdw Eigenvalue up | -9.636260000000000e-01 | -9.635860000000001e-01 | 4.400000000000000e-05 | -3.999999999992898e-05 | PASS |
| gga_x_optb88_vdw Eigenvalue dn | -8.123560000000000e-01 | -8.123184999999999e-01 | 4.120000000000000e-05 | -3.750000000002363e-05 | PASS |
| gga_x_optb88_vdw Exchange | -3.141832600000000e-01 | -3.141797550000000e-01 | 3.840000000000000e-06 | -3.505000000014746e-06 | PASS |
| gga_x_optb88_vdw Int[n*v_xc] | -3.994722100000000e-01 | -3.994679000000000e-01 | 4.740000000000000e-06 | -4.310000000007363e-06 | PASS |