Match Hartree energy
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_ppc_autotools: [foss2022a-serial] >
Input 18-TiO2.01-gs.inp
Value | Reference | Precision | Status |
4.244778825000000e+01 | 4.244778760000000e+01 | 9.680000000000001e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)