Input 01-octopus_basics-getting_started.02-H_atom_spin.inp

Commits > Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 > Run foss_cmake: [foss2022a-mpi, foss-full-mpi]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Eigenvalue -2.691040000000000e-01 -2.690730000000000e-01 1.000000000000000e-04 -3.100000000000325e-05 PASS
Total Energy -4.794392200000000e-01 -4.794138200000000e-01 1.000000000000000e-04 -2.540000000000875e-05 PASS
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