Input 06-h2o_pol_lr.04_emresp_mo.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
Susceptibility XX -1.569019710000000e+02 -1.569019710000000e+02 7.849999999999999e-06 0.000000000000000e+00 PASS
Susceptibility YY -1.594891250000000e+02 -1.594891250000000e+02 7.970000000000000e-06 0.000000000000000e+00 PASS
Susceptibility ZZ -1.574634280000000e+02 -1.574634280000000e+02 7.869999999999999e-06 0.000000000000000e+00 PASS
Susceptibility av -1.579515080000000e+02 -1.579515080000000e+02 7.900000000000001e-06 0.000000000000000e+00 PASS
Polarizability XX w=0.1 1.064806400000000e+01 1.064806400000000e+01 5.320000000000000e-06 0.000000000000000e+00 PASS
Polarizability YY w=0.1 1.077046400000000e+01 1.077046400000000e+01 5.390000000000000e-06 0.000000000000000e+00 PASS
Polarizability ZZ w=0.1 1.092309400000000e+01 1.092309400000000e+01 5.460000000000000e-06 1.776356839400250e-15 PASS
Cross-section av w=0.1 1.019182300000000e-03 1.019182300000000e-03 5.100000000000000e-10 0.000000000000000e+00 PASS
Mag.-opt. Re alpha w=0.1 -7.288635000000000e-03 -7.288633700000000e-03 3.640000000000000e-09 -1.300000000009627e-09 PASS
Mag.-opt. av Im w=0.1 2.416207400000000e-02 2.416207200000000e-02 1.210000000000000e-08 1.999999995477841e-09 PASS
Mag.-opt. Re eps w=0.1 -7.824323600000000e-06 -7.824323950000000e-06 4.130000000000000e-12 3.500000006343481e-13 PASS
Mag.-opt. Im eps w=0.1 2.535605800000000e-05 2.535606200000000e-05 1.270000000000000e-11 -4.000000000957448e-12 PASS
Compare to other inputs