Match 1st TDA force 1 1
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run intel-serial: [intel2023a-serial] >
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)