Match Hartree energy
Commits >
Commit 8f70c6ee77762d8b3d61df63beb761c1a94f9b18 >
Run foss-mpi-min: [foss2022a-mpi] >
Input 12-boron_nitride.01-gs.inp
Value | Reference | Precision | Status |
-5.236158347500000e+02 | -5.236158307700000e+02 | 7.780000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)