Dear Peter: Thank for your help! but where can I find the NiO example?
By the way, how can I claculate the electron charge distribution in a unit cell as a functionod z?(how ro integrated over the xy-plane?) ***************************************************** Pengfei GUAN International Frontier Center for Advanced Materials Institute for Materials Research Tohoku University 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Japan Tel: +81-22-215-2139 Fax: +81-22-215-2194 Email: pf.guan at imr.tohoku.ac.jp *****************************************************
