Match Density matrix (Im) [step 100]
Commits >
Commit 97b4f3224f9be7c1ae7006b6639b45be6cefbdcd >
Run spack_foss-2022a_ppc >
Input 02-qd_2e_2d.02-td.inp
Value | Reference | Precision | Status |
-1.578000000000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(output_iter/td.0000100/modelmb/densmatr_ip001_imb01, 41905, 6)