I have an interested puzzle about how to calculate the charge transfer(CT)
form atom A to aotm B in siesta.
http://voznyy.elinity.com/blog/2008/01/bader-analysis-with-siesta/
I have an interested puzzle about how to calculate the charge transfer(CT)
form atom A to aotm B in siesta.
http://voznyy.elinity.com/blog/2008/01/bader-analysis-with-siesta/