Match Hartree energy
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run foss-parallel-zen4: [foss2023a-mpi] >
Input 12-boron_nitride.01-gs.inp
Value | Reference | Precision | Status |
-5.236158346600000e+02 | -5.236158307700000e+02 | 7.780000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)