Match Hartree energy
Commits >
Commit a41c007d955b10e3b7368ff6ffc60ddf6399c944 >
Run foss_mpi_autotools: [foss2022a-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)