Match Hartree energy
Commits >
Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b >
Run intel-omp: [intel2023a-serial] >
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)