Match Fz (H) (t=200 au)
Commits >
Commit 4b6d45842a438d46c51308ffa6e74b875e60d9e9 >
Run foss_cmake: [foss2022a-serial, foss-full] >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
4.530246916169545e-03 | 4.530246916375000e-03 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 8)