Input 21-scissor.01-gs.inp

Commits > Commit ad9fcbdd35c8d08e16e213263c476bba0afb770b > Run cmake_foss_2022a_full_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 -4.174917300000000e-01 -4.174745000000000e-01 1.000000000000000e-04 -1.722999999997921e-05 PASS
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