Match Hartree energy
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run intel_mpi_autotools: [intel2023a-mpi] >
Input 13-primitive.03-bcc_iron.inp
Value | Reference | Precision | Status |
3.271987926000000e+01 | 3.271987926000000e+01 | 1.640000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)