Input 06-h2o_pol_lr.04_emresp_mo.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Susceptibility XX | -4.591116926320000e+05 | -1.569019710000000e+02 | 7.849999999999999e-06 | -4.589547906610000e+05 | FAIL |
| Susceptibility YY | 4.631764261213400e+07 | -1.594891250000000e+02 | 7.970000000000000e-06 | 4.631780210125900e+07 | FAIL |
| Susceptibility ZZ | 3.943148080400000e+05 | -1.574634280000000e+02 | 7.869999999999999e-06 | 3.944722714680000e+05 | FAIL |
| Susceptibility av | 1.541761524251400e+07 | -1.579515080000000e+02 | 7.900000000000001e-06 | 1.541777319402200e+07 | FAIL |
| Polarizability YY w=0.1 | 0.000000000000000e+00 | 1.077046400000000e+01 | 5.390000000000000e-06 | -1.077046400000000e+01 | FAIL |
| Polarizability ZZ w=0.1 | 0.000000000000000e+00 | 1.092309400000000e+01 | 5.460000000000000e-06 | -1.092309400000000e+01 | FAIL |
| Mag.-opt. Re alpha w=0.1 | 2.621203600000000e+01 | -7.288633700000000e-03 | 3.640000000000000e-09 | 2.621932463370000e+01 | FAIL |
| Mag.-opt. av Im w=0.1 | -8.374955200000000e+03 | 2.416207200000000e-02 | 1.210000000000000e-08 | -8.374979362072001e+03 | FAIL |
| Mag.-opt. Re eps w=0.1 | -1.135388800000000e+01 | -7.824323950000000e-06 | 4.130000000000000e-12 | -1.135388017567605e+01 | FAIL |
| Mag.-opt. Im eps w=0.1 | -2.035634500000000e+00 | 2.535606200000000e-05 | 1.270000000000000e-11 | -2.035659856062000e+00 | FAIL |