Match 1st TDA force 1 1
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run foss-mpi-min: [foss2023a-mpi] >
Input 01-casida.08-casida_restart.inp
Value | Reference | Precision | Status |
-2.713000000000000e-01 | -2.712920000000000e-01 | 1.360000000000000e-05 | PASS |
Command: LINEFIELD(casida/tamm_dancoff_excitations/forces_00001.xsf, 2, 5)