Match Hartree energy
Commits >
Commit 4ba8d1ba4a84cee910627f85cb1ba733d430c04d >
Run cuda-serial: [foss2022a-cuda-mpi] >
Input 17-aluminium.01-gs.inp
Value | Reference | Precision | Status |
1.252956000000000e-02 | 1.252990000000000e-02 | 6.260000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)