Input 13-full_potential_hydrogen.02-gs-cg.inp

Commits > Commit f2f698c8a25f386898063905e7c5eb25847969e0 > Run intel-2022a_impi

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-15 0.000000000000000e+00 PASS
Total energy -4.981084600000000e-01 -4.981084600000000e-01 4.980000000000000e-16 0.000000000000000e+00 PASS
Species displacement 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-15 0.000000000000000e+00 PASS
Eigenvalue -4.981080000000000e-01 -4.981080000000000e-01 4.980000000000000e-16 0.000000000000000e+00 PASS
Occupation 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-15 0.000000000000000e+00 PASS
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