Force in the non equilibrium condition

Asked by neelanchana on 2019-08-20

Hi,
Whether the force on the system become near to zero after transiesta convergence when potential is applied on the electrode ?
Will the system experience some force along along the z direction?

Question information

Language:
English Edit question
Status:
Solved
For:
Siesta Edit question
Assignee:
No assignee Edit question
Solved by:
Nick Papior
Solved:
2019-08-21
Last query:
2019-08-21
Last reply:
2019-08-21
Best Nick Papior (nickpapior) said : #1

When applying a potential to the system surely the atoms will experience a force. The forces for a TS 0 V calculation and a siesta calculation should be largely equivalent (at least in the device region far from the electrodes), good check to do.

neelanchana (neelanchana) said : #2

Thanks Nick Papior, that solved my question.