Input 15-crank_nicolson.01-gs.inp

Commits > Commit b21946569e0fd76bd0c736308c1aade8f51fa7e4 > Run foss-mpi-min: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Initial energy -1.060686763000000e+01 -1.060686763000000e+01 5.300000000000000e-08 0.000000000000000e+00 PASS
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