Input 02-h2o_pol_lr.04_h2o_susc.inp

Commits > Commit b2c9b4a951ad3e3faeb99c2d543d652f634c0371 > Run intel-2022a_omp_impi

Matches

Name Value Reference Precision Difference Status
Paramagnetic susceptibility 3.001065600000000e+01 3.001065600000000e+01 1.500000000000000e-05 0.000000000000000e+00 PASS
Diamagnetic susceptibility -2.153648990000000e+02 -2.153648990000000e+02 1.080000000000000e-05 0.000000000000000e+00 PASS
Total susceptibility -1.853542430000000e+02 -1.853542430000000e+02 9.269999999999999e-06 0.000000000000000e+00 PASS
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