Match Benzene Multipoles [step 20]
Commits >
Commit 4104ea28a473696fae3c7fad4406bf86d5f6976c >
Run foss-ppc: [foss2022a-serial] >
Input 12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp
Value | Reference | Precision | Status |
9.086273319687696e-02 | 9.086271425086069e-02 | 1.000000000000000e-06 | PASS |
Command: LINEFIELD(benzene/td.general/multipoles, -1, 4)