Match Hartree energy
Commits >
Commit 008ad309696fa333cadd72656d8ad6622d802226 >
Run foss-mpi-full: [foss2023a-mpi] >
Input 14-fullerene_unpacked.01-gs.inp
Value | Reference | Precision | Status |
3.988936999260000e+03 | 3.988936987400000e+03 | 4.670000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)