Input 24-adsic_freeze_orbitals.01-gs.inp

Commits > Commit 4104ea28a473696fae3c7fad4406bf86d5f6976c > Run valgrind: [foss2023a-serial]

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
Compare to other inputs