Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit d89ed1adec8f63937926022ba961c15ddb98b66b >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128290e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 1.989519660128281e-12 | PASS |
| Energy [step 20] | -3.184094654954619e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | 7.446487870765850e-12 | PASS |
| Multipoles [step 0] | -1.208180702304912e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 3.339925921310100e-06 | PASS |
| Multipoles [step 20] | -2.020307073762444e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | -1.528899060687650e-07 | PASS |