Input 02-h2o_pol_lr.05_h2o_magn_opt.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_mpi_min_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Polarizability XX w=0.0 | 1.524428900000000e+01 | 1.524428900000000e+01 | 7.620000000000000e-06 | 0.000000000000000e+00 | PASS |
| Polarizability YY w=0.0 | 1.232872100000000e+01 | 1.232872100000000e+01 | 6.160000000000000e-06 | 0.000000000000000e+00 | PASS |
| Polarizability ZZ w=0.0 | 2.311648600000000e+01 | 2.311648600000000e+01 | 1.160000000000000e-05 | 0.000000000000000e+00 | PASS |
| Polarizability XX w=0.1 | 1.593725000000000e+01 | 1.593725000000000e+01 | 7.970000000000000e-05 | 0.000000000000000e+00 | PASS |
| Polarizability YY w=0.1 | 1.285047700000000e+01 | 1.285047700000000e+01 | 6.430000000000000e-11 | 0.000000000000000e+00 | PASS |
| Polarizability ZZ w=0.1 | 2.946294600000000e+01 | 2.946294600000000e+01 | 1.470000000000000e-05 | -3.552713678800501e-15 | PASS |
| Mag.-opt. Re alpha w=0.0 | -3.777447300000000e-03 | -3.777447400000000e-03 | 1.890000000000000e-09 | 1.000000004677815e-10 | PASS |
| Mag.-opt. av Re w=0.0 | -4.882362400000000e-03 | -4.882362400000000e-03 | 2.440000000000000e-09 | 0.000000000000000e+00 | PASS |
| Mag.-opt. Re alpha w=0.1 | -2.170568300000000e-03 | -2.170568200000000e-03 | 1.090000000000000e-09 | -1.000000000341006e-10 | PASS |
| Mag.-opt. av Im w=0.1 | 5.520593700000000e-02 | 5.520593700000000e-02 | 2.760000000000000e-16 | 0.000000000000000e+00 | PASS |