Match Hartree energy
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run intel_autotools: [intel2023a-serial] >
Input 14-carbon_dojo_psp8.01-gs.inp
Value | Reference | Precision | Status |
1.205215349100000e+02 | 1.205215349100000e+02 | 6.030000000000000e-08 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)