Input 02-h2o_pol_lr.05_h2o_magn_opt.inp
Commits >
Commit 235dfa244e23366de619648bda83df5634b8df23 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Polarizability XX w=0.0 | 1.503497600000000e+01 | 1.503497600000000e+01 | 7.520000000000000e-06 | 0.000000000000000e+00 | PASS |
| Polarizability YY w=0.0 | 1.207835000000000e+01 | 1.207835000000000e+01 | 6.040000000000000e-05 | 0.000000000000000e+00 | PASS |
| Polarizability ZZ w=0.0 | 2.205097900000000e+01 | 2.205097900000000e+01 | 1.100000000000000e-05 | 0.000000000000000e+00 | PASS |
| Polarizability XX w=0.1 | 1.568035700000000e+01 | 1.568035700000000e+01 | 7.839999999999999e-06 | 0.000000000000000e+00 | PASS |
| Polarizability YY w=0.1 | 1.254941100000000e+01 | 1.254941100000000e+01 | 6.270000000000000e-08 | 0.000000000000000e+00 | PASS |
| Polarizability ZZ w=0.1 | 2.751902300000000e+01 | 2.751902300000000e+01 | 1.380000000000000e-05 | 0.000000000000000e+00 | PASS |
| Mag.-opt. Re alpha w=0.0 | -3.534977500000000e-03 | -3.534978700000000e-03 | 1.770000000000000e-09 | 1.199999999975526e-09 | PASS |
| Mag.-opt. av Re w=0.0 | -4.536867900000000e-03 | -4.536868400000000e-03 | 2.270000000000000e-09 | 4.999999997368221e-10 | PASS |
| Mag.-opt. Re alpha w=0.1 | -2.850572200000000e-03 | -2.850572400000000e-03 | 1.430000000000000e-09 | 2.000000000682012e-10 | PASS |
| Mag.-opt. av Im w=0.1 | 5.160553600000000e-02 | 5.160553600000000e-02 | 2.580000000000000e-10 | 0.000000000000000e+00 | PASS |