Match Hartree energy
Commits >
Commit adc9f2ea8065b70b337db7e35c2a67771b9e5a60 >
Run foss-mpi-opt-full: [foss2023a-mpi] >
Input 18-mgga.06_nccs.inp
Value | Reference | Precision | Status |
3.610155790000000e+00 | 3.610174400000000e+00 | 3.570000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)