Input 03-xc.gga_x_pbe_jsjr.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run autotools_intel_mpi_omp: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_pbe_jsjr Eigenvalue up | -9.580170000000000e-01 | -9.579770000000001e-01 | 4.400000000000000e-05 | -3.999999999992898e-05 | PASS |
| gga_x_pbe_jsjr Eigenvalue dn | -8.066960000000000e-01 | -8.066590000000000e-01 | 4.070000000000000e-05 | -3.699999999995374e-05 | PASS |
| gga_x_pbe_jsjr Exchange | -3.072113300000000e-01 | -3.072079250000000e-01 | 3.750000000000000e-06 | -3.405000000011871e-06 | PASS |
| gga_x_pbe_jsjr Int[n*v_xc] | -3.938528900000000e-01 | -3.938486600000000e-01 | 4.640000000000000e-06 | -4.229999999993961e-06 | PASS |