Match Mag.-opt. Re alpha w=0.0
Commits >
Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a >
Run cuda-mpi-omp: [foss2022a-cuda-mpi] >
Input 02-h2o_pol_lr.05_h2o_magn_opt.inp
Value | Reference | Precision | Status |
-3.534978700000000e-03 | -3.534978700000000e-03 | 1.770000000000000e-09 | PASS |
Command: GREPFIELD(em_resp/freq_0.0000/alpha_mo, 'Re alpha', 4)