Dear All: Why did my "init_lapw" give the distance between atom 5 and atom 5? ERROR !!!!!!!!!!!!!!! RMT( 5)=0.70000 AND RMT( 5)=0.70000 SUMS TO 1.40000 GT NNN-DIST= 1.05157 Best wishes! Bing Zhou Dept. of Geol. Sc. The Univ. of Manitoba Canada R3T 2N2 Tel: (204)474-8395