Input 24-adsic_freeze_orbitals.01-gs.inp

Commits > Commit f4bc596bdcf3afff33b833944576bfd5457df1bc > Run foss-mpi-omp-full: [foss2023a-mpi]

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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