Match Hartree energy
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run foss_autotools: [foss2023a-serial] >
Input 14-carbon_dojo_psp8.01-gs.inp
Value | Reference | Precision | Status |
1.205215187200000e+02 | 1.205215187200000e+02 | 1.210000000000000e-12 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)