Match Hartree energy
Commits >
Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 >
Run foss-mpi-min: [foss2022a-mpi] >
Input 09-vdw_ts_sc.01-gs.inp
Value | Reference | Precision | Status |
4.896498763000000e+01 | 4.896498763000000e+01 | 2.450000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)