The big letter P (as in Ppy for H and Pdxy for C) means that this is a
Polarization orbital.
But yes, it still has a py for H (dxy for C) symmetry, i.e. the
spherical harmonics as they should be, while the radial part is
numerical (from orb. files).
- [SIESTA-L] Question about the default basis in Siesta Nikita Simonian
- Re: [SIESTA-L] Question about the default basis in Si... Alexander Vozny
- Re: [SIESTA-L] Question about the default basis i... Nikita Simonian
