Having a question about the PAW potential
Posted: Mon Oct 27, 2008 1:00 am
Dear Sir or Madam,
I need a help. I want to understand the scalar relativistic effects included in the PAW potential. For example, we consider the Au potential. By charging it with an extra electron to the Au atom, could the PAW potential deal with the extra electron with the scalar relativistic effects?
I would appreciate greatly for your kind help!
MDrizzle
I need a help. I want to understand the scalar relativistic effects included in the PAW potential. For example, we consider the Au potential. By charging it with an extra electron to the Au atom, could the PAW potential deal with the extra electron with the scalar relativistic effects?
I would appreciate greatly for your kind help!
MDrizzle