Angular functions

From VASP Wiki
real spherical harmonics
l m Name Ylm
0 1 s
1 -1 py
1 0 pz
1 1 px
2 -2 dxy
2 -1 dyz
2 0 dz2
2 1 dxz
2 2 dx2-y2
3 -3 fy(3x2-y2)
3 -2 fxyz
3 -1 fyz2
3 0 fz3
3 1 fxz2
3 2 fz(x2-y2)
3 3 fx(x2-3y2)


hybrid angular functions
sp sp-1
sp-2
sp2 sp2-1
sp2-2
sp2-2
sp3 sp3-1
sp3-2
sp3-2
sp3-4
sp3d sp3d-1
sp3d-2
sp3d-3
sp3d-4
sp3d-5
sp3d2 sp3d2-1
sp3d2-2
sp3d2-3
sp3d2-4
sp3d2-5
sp3d2-6