Match 1st TDA force 1 1
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_mpi_autotools: [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)