[QE-users] apply constant velocity on the atoms

2019-03-05 Thread Lu Hailin
Dear all, When I apply constant velocity on the atoms through the code ion_velocities = 'from_input', which works only if restart_mode='from_scratch', tested only with electrons_dynamics='cg',how can I get the information from electronic ground state . The task was completed by using

[QE-users] apply constant velocity on the atoms

2019-02-19 Thread Lu Hailin
Dear all, I have designed a model with two self-mated Fe(110) surfaces. During the dynamic simulations,the bottom layer of the lower slab (the substrate) was held rigid, while the upper slab (the counter-surface) was moved at constant velocity. How can I apply constant velocity on the