Input 03-xc.gga_x_xpbe.inp
Commits >
Commit 917d830e9234ff154f8a96d6b6c157a89a03a450 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_xpbe Eigenvalue up | -9.711060000000000e-01 | -9.711455000000000e-01 | 4.340000000000000e-05 | 3.949999999997011e-05 | PASS |
| gga_x_xpbe Eigenvalue dn | -8.198750000000000e-01 | -8.199130000000000e-01 | 4.180000000000000e-05 | 3.799999999998249e-05 | PASS |
| gga_x_xpbe Exchange | -3.207233100000000e-01 | -3.207269800000000e-01 | 4.040000000000000e-06 | 3.670000000011164e-06 | PASS |
| gga_x_xpbe Int[n*v_xc] | -4.070299400000000e-01 | -4.070344200000000e-01 | 4.930000000000000e-06 | 4.480000000028905e-06 | PASS |