Input 06-gdlib.01-gs.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2022a_valgrind

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
Compare to other inputs