Match X Coordinate Atom 1 [step 20]
Commits >
Commit 9bb80dbc43fc7b1ccbcadf899a686fb8cb0164a9 >
Run intel-2022b_impi >
Input 22-td_move_ions_periodic.02-td.inp
Value | Reference | Precision | Status |
-3.206882892344677e-01 | -3.206882892344866e-01 | 2.080000000000000e-14 | PASS |
Command: LINEFIELD(td.general/coordinates, -1, 3)