Match electronic pol. charge
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run foss-mpi-min: [foss2022a-mpi] >
Input 29-pcm_chlorine_anion.04-ground_state-n240.inp
Value | Reference | Precision | Status |
-7.840514180000000e+00 | -7.840514180000000e+00 | 7.840000000000000e-14 | PASS |
Command: GREPFIELD(pcm/pcm_info.out, ' 9 ', 7)