Match Hartree energy
Commits >
Commit f4bc596bdcf3afff33b833944576bfd5457df1bc >
Run foss-omp-full: [foss2023a-serial] >
Input 12-boron_nitride.01-gs.inp
Value | Reference | Precision | Status |
-5.236158349500000e+02 | -5.236158307700000e+02 | 7.780000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)