Match Hartree energy
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run intel-min-parallel: [intel2022a-mpi] >
Input 12-boron_nitride.01-gs.inp
Value | Reference | Precision | Status |
-5.236158377700000e+02 | -5.236158307700000e+02 | 7.780000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)