Match Hartree energy
Commits >
Commit c335ce26b11dabfe3619506d15cfc1285f92daaf >
Run foss_ppc_autotools: [foss2022a-serial] >
Input 12-boron_nitride.01-gs.inp
Value | Reference | Precision | Status |
-5.236158349400000e+02 | -5.236158307700000e+02 | 7.780000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)