can electrons be positive?
Posted: Wed Jun 02, 2010 6:01 pm
Greetings to everyone,
I have a rather naive question.
When I apply external electric field in VASP, I see a strange behavior: electrons move along the field. From electrostatic point of view, this means that electrons are positively charged. If I do the same kind of calculation using PwScf, electrons behave as they are negative.
I would think that I just made a mistake with the polarity of the field in VASP. However, analysis of the local potential in the cell shows that gradients of the potential in VASP and PwScf are identical, but electrons in two codes move in opposite directions.
I would very much appreciate any information.
Alexey
I have a rather naive question.
When I apply external electric field in VASP, I see a strange behavior: electrons move along the field. From electrostatic point of view, this means that electrons are positively charged. If I do the same kind of calculation using PwScf, electrons behave as they are negative.
I would think that I just made a mistake with the polarity of the field in VASP. However, analysis of the local potential in the cell shows that gradients of the potential in VASP and PwScf are identical, but electrons in two codes move in opposite directions.
I would very much appreciate any information.
Alexey