Input 02-h2o_pol_lr.04_h2o_susc.inp

Commits > Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 > Run foss-mpi-omp-full: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Paramagnetic susceptibility 2.969294500000000e+01 2.969294500000000e+01 1.480000000000000e-05 0.000000000000000e+00 PASS
Diamagnetic susceptibility -2.145418640000000e+02 -2.145418640000000e+02 1.070000000000000e-05 0.000000000000000e+00 PASS
Total susceptibility -1.848489190000000e+02 -1.848489190000000e+02 9.240000000000000e-06 0.000000000000000e+00 PASS
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