Input 06-gdlib.01-gs.inp

Commits > Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 > Run cmake_foss_2022a_full_mpi

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Total energy 4.922703300000000e-01 4.922703300000000e-01 4.920000000000000e-16 0.000000000000000e+00 PASS
Eigenvalue 4.922700000000000e-01 4.922700000000000e-01 4.920000000000000e-16 0.000000000000000e+00 PASS
Dipole x 9.670460000000000e-01 9.670460000000000e-01 9.669999999999999e-16 0.000000000000000e+00 PASS
Dipole y -1.025550000000000e+00 -1.025550000000000e+00 1.030000000000000e-15 0.000000000000000e+00 PASS
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