Match Hartree energy
Commits >
Commit 9c5e1a9ae4a97d24a493b8c6c0caa96edfef5d41 >
Run foss_mpi_autotools: [foss2023a-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)