Input 03-vdw_sternheimer.01-ground_state.inp

Commits > Commit bf0f47cf3302df97f9487d18148dd4e0cf599eb9 > Run intel-2022a

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Total energy -2.844773730000000e+00 -2.844783760000000e+00 1.000000000000000e-04 1.002999999988319e-05 PASS
HOMO -5.722020000000000e-01 -5.722150000000000e-01 1.000000000000000e-04 1.300000000004076e-05 PASS
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