Match Hartree energy
Commits >
Commit 4b6d45842a438d46c51308ffa6e74b875e60d9e9 >
Run foss_mpi_opt_autotools: [foss2023a-mpi] >
Input 13-primitive.01-diamond.inp
Value | Reference | Precision | Status |
1.000006560000000e+00 | 1.000000000000000e+00 | 5.000000000000000e+00 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)