Match Hartree energy
Commits >
Commit f22bb0bcca4b53614d336c5e83de089ff68b1baa >
Run foss-cmake-zen4: [foss2023a-serial, ci-foss-full] >
Input 13-primitive.03-bcc_iron.inp
| Value | Reference | Precision | Status |
| 3.271988088000000e+01 | 3.271988088000001e+01 | 3.270000000000000e-13 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)