Match Hartree energy
Commits >
Commit e2663e21d2b19b776c1ae6497ca3d74f14dbf310 >
Run intel-2022a_omp >
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)