Match Born charge O YY w=0.0
Commits >
Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 >
Run spack_intel-2023a_serial_omp >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
Value | Reference | Precision | Status |
-3.496020000000000e-01 | -3.496040000000000e-01 | 1.750000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 4, 2)