Match Hartree energy
Commits >
Commit 6873b983d1904fe0612bd483f61737dd2d8ed971 >
Run intel_mpi_autotools: [intel2023a-mpi] >
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)