Input 06-caetrs.01-gs.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run intel_omp_autotools: [intel2022a-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 -1.058482984000000e+01 -1.058482984000000e+01 5.290000000000000e-08 0.000000000000000e+00 PASS
Compare to other inputs