On Oct 26, 2009, at 17:12 , Jiayu Dai wrote: > 2S 1 0 2.00 0.00 2.00 2.00 > 2P 2 1 6.00 0.00 2.00 2.00
Rc=2a.u. for 2s and 2p is way too large. The peak of 2s and 2p orbitals is around 0.7 a.u. P. --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
