Match Born charge diff w=0.0
Commits >
Commit 3c5618978387ff506850febf67c434621a2adfa2 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
Value | Reference | Precision | Status |
1.129400000000000e-02 | 1.129400000000000e-02 | 5.650000000000000e-06 | PASS |
Command: GREPFIELD(em_resp/freq_0.0000/born_charges, "Discrepancy", 3, 4)