Input 21-scissor.01-gs.inp
Commits >
Commit 6873b983d1904fe0612bd483f61737dd2d8ed971 >
Run foss_cmake: [foss2022a-mpi, foss-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 | -4.153852200000000e-01 | -4.153852200000000e-01 | 2.080000000000000e-07 | 0.000000000000000e+00 | PASS |