Input 03-octopus_basics-total_energy_convergence.02-methane.inp

Commits > Commit 6099f031302cffa2938f492784ba2f7b55faffa3 > Run intel_mpi_omp_autotools: [intel2022a-mpi]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 3.380000000000000e-05 0.000000000000000e+00 PASS
Total Energy -2.190373430200000e+02 -2.190373430200000e+02 1.100000000000000e-07 0.000000000000000e+00 PASS
Eigenvalue 1 -1.599096500000000e+01 -1.599096500000000e+01 8.000000000000000e-13 0.000000000000000e+00 PASS
Eigenvalue 2 -9.065614999999999e+00 -9.065616000000000e+00 4.530000000000000e-05 1.000000001027956e-06 PASS
Eigenvalue 3 -9.065614999999999e+00 -9.065616000000000e+00 4.530000000000000e-05 1.000000001027956e-06 PASS
Eigenvalue 4 -9.065614999999999e+00 -9.065616000000000e+00 4.530000000000000e-05 1.000000001027956e-06 PASS
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