Match Born charge O XX w=0.1
Commits >
Commit bae4500c7a0d1ba65b012093daf21b2d064fac81 >
Run spack_intel-2022a_serial_omp >
Input 06-h2o_pol_lr.03_emresp.inp
Value | Reference | Precision | Status |
-5.311500000000000e-01 | -5.311500000000000e-01 | 2.660000000000000e-04 | PASS |
Command: LINEFIELD(em_resp/freq_0.1000/born_charges, 5, 1)