DOS of Lithium p-orbital
Posted: Wed Apr 16, 2008 6:48 pm
Hi there,
I'm confused how/why VASP gives me a considerable DOS of p-orbital for Lithium. In fact, for some bands, the p-DOS is larger than the s-DOS. Any thoughts?
I used PAW-PBE and HIGH precision with
LORBIT = 10
thx.
I'm confused how/why VASP gives me a considerable DOS of p-orbital for Lithium. In fact, for some bands, the p-DOS is larger than the s-DOS. Any thoughts?
I used PAW-PBE and HIGH precision with
LORBIT = 10
thx.