Input 03-xc.gga_x_xpbe.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_cuda_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 | -3.207233000000000e-01 | -3.207269800000000e-01 | 4.040000000000000e-06 | 3.680000000005901e-06 | PASS |
| gga_x_xpbe Int[n*v_xc] | -4.070299200000000e-01 | -4.070344200000000e-01 | 4.930000000000000e-06 | 4.500000000018378e-06 | PASS |