Match Hartree energy
Commits >
Commit 9cd8be12b3755ae83838647d0fe27e1f4e47031c >
Run intel-2022b_impi >
Input 14-carbon_dojo_psp8.01-gs.inp
Value | Reference | Precision | Status |
1.205197287800000e+02 | 1.205197287800000e+02 | 6.030000000000000e-08 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)