Match Born charge diff w=0.0
Commits >
Commit f4bc596bdcf3afff33b833944576bfd5457df1bc >
Run foss-mpi-omp-full: [foss2023a-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)