Match Hartree energy
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_intel_autotools: [intel2023a-serial] >
Input 09-vdw_ts_sc.01-gs.inp
Value | Reference | Precision | Status |
5.016541729000000e+01 | 5.016541729000000e+01 | 2.510000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)