Input 20-pcm-local-field-absorption.01-gs.inp

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > Run spack_foss-2022a_mpi

Matches

Name Value Reference Precision Difference Status
eigenvalue [1] -6.341195000000000e+00 -6.339657000000000e+00 1.690000000000000e-03 -1.538000000000039e-03 PASS
electrons-solvent int. energy 3.115000000000000e-05 3.104000000000000e-05 1.650000000000000e-07 1.099999999999973e-07 PASS
nuclei-solvent int. energy -3.120000000000000e-05 -3.110000000000000e-05 1.560000000000000e-06 -9.999999999999565e-08 PASS
molecule-solvent int. energy -5.000000000000000e-08 -5.000000000000000e-08 5.000000000000000e-10 0.000000000000000e+00 PASS
electronic pol. charge -9.871170700000000e-01 -9.871171399999999e-01 4.940000000000000e-07 6.999999990764394e-08 PASS
nuclear pol. charge 9.871387600000000e-01 9.871387600000000e-01 4.940000000000000e-07 0.000000000000000e+00 PASS
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