Input 03-xc.gga_x_b86_mgc.inp
Commits >
Commit db5a37a45dcf968be97880dd1f5766f32ce63f3a >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
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 | -3.202742400000000e-01 | -3.202705900000000e-01 | 4.010000000000000e-06 | -3.649999999966180e-06 | PASS |
gga_x_b86_mgc Int[n*v_xc] | -4.068609600000000e-01 | -4.068564700000000e-01 | 4.930000000000000e-06 | -4.489999999968131e-06 | PASS |