Input 04-lithium.02-absorbing_boundaries.inp
Commits >
Commit f4bc596bdcf3afff33b833944576bfd5457df1bc >
Run foss_cmake: [foss2022a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| N_electrons [step 0] | 2.999999999999998e+00 | 3.000000000000000e+00 | 2.000000000000000e-07 | -1.776356839400250e-15 | PASS |
| N_electrons [step 500] | 2.319032487295784e+00 | 2.319032630881478e+00 | 3.060000000000000e-07 | -1.435856935572133e-07 | PASS |
| norm11 [step 0] | 9.999999999999999e-01 | 1.000000000000000e+00 | 1.300000000000000e-07 | -1.110223024625157e-16 | PASS |
| norm11 [step 500] | 8.562172160884448e-01 | 8.562172473301963e-01 | 7.470000000000000e-08 | -3.124175151913988e-08 | PASS |
| norm21 [step 0] | 9.999999999999999e-01 | 1.000000000000000e+00 | 1.300000000000000e-07 | -1.110223024625157e-16 | PASS |
| norm21 [step 500] | 9.153054606022493e-01 | 9.153054729587488e-01 | 2.520000000000000e-08 | -1.235649949027362e-08 | PASS |