Match 1st TDA force 1 1
Commits >
Commit fe1e2fbde8e2f64defe360a8f89092b8d1773e8d >
Run foss-mpi-opt-full: [foss2023a-mpi] >
Input 01-casida.05-casida.inp
Value | Reference | Precision | Status |
-2.419290000000000e-01 | -2.419220000000000e-01 | 1.210000000000000e-05 | PASS |
Command: LINEFIELD(casida/tamm_dancoff_excitations/forces_00001.xsf, 2, 5)