Input 03-xc.gga_x_b86_mgc.inp
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run foss_ppc_autotools: [foss2022a-serial]
Matches
Name | Value | Reference | Precision | Difference | Status |
gga_x_b86_mgc Eigenvalue up | -9.711620000000000e-01 | -9.711220000000000e-01 | 4.400000000000000e-05 | -3.999999999992898e-05 | PASS |
gga_x_b86_mgc Eigenvalue dn | -8.191560000000000e-01 | -8.191180000000000e-01 | 4.180000000000000e-05 | -3.799999999998249e-05 | PASS |
gga_x_b86_mgc Exchange | -3.202742200000000e-01 | -3.202705900000000e-01 | 4.010000000000000e-06 | -3.629999999976707e-06 | PASS |
gga_x_b86_mgc Int[n*v_xc] | -4.068609300000000e-01 | -4.068564700000000e-01 | 4.930000000000000e-06 | -4.459999999983921e-06 | PASS |