Input 05-pfft.01-gs.inp

Commits > Commit 6873b983d1904fe0612bd483f61737dd2d8ed971 > Run foss-mpi-debug: [foss2023a-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 -4.991684500000000e-01 -4.991953300000000e-01 1.000000000000000e-04 2.688000000000690e-05 PASS
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