Input 06-caetrs.01-gs.inp

Commits > Commit 85779d3dd9ec6e18544835020e079bae8c405b87 > Run spack_foss-2023a_valgrind

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Initial energy -1.060684395000000e+01 -1.060684395000000e+01 5.300000000000000e-08 0.000000000000000e+00 PASS
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