Match Hartree energy
Commits >
Commit a207e10cd726e9ee7bae9ea565d18a80e5fdcb20 >
Run foss-ppc: [foss2022a-serial] >
Input 12-boron_nitride.01-gs.inp
Value | Reference | Precision | Status |
-5.236158349300000e+02 | -5.236158307700000e+02 | 7.780000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)