Match Hartree energy
Commits >
Commit 2b00e292f829221e67a290b840b53bb41bb59499 >
Run cmake_foss_2022a_full_serial >
Input 08-vdw_ts.01-gs.inp
Value | Reference | Precision | Status |
5.016729092000000e+01 | 5.016729092000000e+01 | 2.510000000000000e-10 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)