Input 24-adsic_freeze_orbitals.01-gs.inp

Commits > Commit bae4500c7a0d1ba65b012093daf21b2d064fac81 > Run spack_intel-2023a_impi

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Initial energy -1.977413220000000e+00 -1.977413220000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
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