Input 24-adsic_freeze_orbitals.01-gs.inp

Commits > Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 > Run foss_cmake: [foss2022a-serial, foss-full]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Initial energy -1.973057180000000e+00 -1.973057180000000e+00 9.870000000000000e-08 -2.220446049250313e-16 PASS
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