Input 13-absorption-spin.01-gs.inp

Commits > Commit af26893c7aa01c4d6db9b9440ccd945f9c92b2ee > Run spack_foss-2023a_serial_opt

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Initial energy -6.134127260000000e+00 -6.134127260000000e+00 3.070000000000000e-07 0.000000000000000e+00 PASS
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