Input 04-lithium.01-ground_state.inp

Commits > Commit 38482cef62d365e560a63bc8ea1cbd919ea4f861 > Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi]

Matches

Name Value Reference Precision Difference Status
Total energy -4.178869510000000e+00 -4.178869200000000e+00 2.090000000000000e-06 -3.099999998923408e-07 PASS
Eigenvalues -1.739099760000000e+00 -1.739099250000000e+00 7.480000000000000e-07 -5.100000000091143e-07 PASS
Hartree 2.706537320000000e+00 2.706538100000000e+00 1.140000000000000e-06 -7.800000001445540e-07 PASS
Int[n*v_xc] -1.309727070000000e+00 -1.309727120000000e+00 7.150000000000000e-08 4.999999969612645e-08 PASS
Exchange -1.002380250000000e+00 -1.002380300000000e+00 5.010000000000001e-07 4.999999991817106e-08 PASS
Correlation -4.057924000000000e-02 -4.057932000000000e-02 1.000000000000000e-06 7.999999999952490e-08 PASS
Kinetic 5.869460900000000e-01 5.869462100000000e-01 3.030000000000000e-07 -1.200000000478596e-07 PASS
External -6.429393780000000e+00 -6.429393980000000e+00 4.840000000000000e-07 2.000000005608626e-07 PASS
Dipole -4.112820000000000e-07 0.000000000000000e+00 5.000000000000000e-06 -4.112820000000000e-07 PASS
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