Match Hartree energy
Commits >
Commit 04b2a32c6063188a192f0d4e38b2e2adad504be9 >
Run eb_foss-2022a_mpi >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
3.954895210580000e+03 | 3.954895210660000e+03 | 4.180000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)