Match Hartree energy
Commits >
Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 >
Run foss-mpi-min: [foss2022a-mpi] >
Input 13-primitive.01-diamond.inp
Value | Reference | Precision | Status |
1.000006560000000e+00 | 1.000000000000000e+00 | 5.000000000000000e+00 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)