Match Hartree energy
Commits >
Commit 9cd8be12b3755ae83838647d0fe27e1f4e47031c >
Run intel-2022b >
Input 09-vdw_ts_sc.01-gs.inp
Value | Reference | Precision | Status |
5.016538032000000e+01 | 5.016538032000000e+01 | 2.510000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)