Match Hartree energy
Commits >
Commit f2f698c8a25f386898063905e7c5eb25847969e0 >
Run cmake_foss_2022a_min_serial >
Input 13-primitive.03-bcc_iron.inp
Value | Reference | Precision | Status |
3.271841312000000e+01 | 3.271841312000000e+01 | 1.640000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)