wannier xsf units
Posted: Fri Nov 11, 2011 12:23 am
Hello fellow Abinit users,
I have two quick and easy (hopefully) questions.
1.) what are the units of the wannier functions contained within the xcrysden *.xsf files that come out of Abinit from wannier calculations?
2.) If I were to integrate the wannier function squarted over the volume of the super cell would I get 2 electrons as an answer?
I = Integral[dr^3*w(r)^2] =? 2 electrons.
Thank you very much for any help you can give!
Redorb
I have two quick and easy (hopefully) questions.
1.) what are the units of the wannier functions contained within the xcrysden *.xsf files that come out of Abinit from wannier calculations?
2.) If I were to integrate the wannier function squarted over the volume of the super cell would I get 2 electrons as an answer?
I = Integral[dr^3*w(r)^2] =? 2 electrons.
Thank you very much for any help you can give!
Redorb