Input 03-xc.gga_x_pbek1_vdw.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_opt_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_pbek1_vdw Eigenvalue up | -9.701480000000000e-01 | -9.701085000000000e-01 | 4.350000000000000e-05 | -3.949999999997011e-05 | PASS |
| gga_x_pbek1_vdw Eigenvalue dn | -8.195830000000000e-01 | -8.195450000000000e-01 | 4.180000000000000e-05 | -3.799999999998249e-05 | PASS |
| gga_x_pbek1_vdw Exchange | -3.204069700000000e-01 | -3.204033250000000e-01 | 4.020000000000000e-06 | -3.644999999996568e-06 | PASS |
| gga_x_pbek1_vdw Int[n*v_xc] | -4.061353500000000e-01 | -4.061309150000000e-01 | 4.900000000000000e-06 | -4.435000000024836e-06 | PASS |