Match Hartree energy
Commits >
Commit ad9fcbdd35c8d08e16e213263c476bba0afb770b >
Run spack_foss-2023a_serial_opt >
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)