On Mon, 2011-04-04 at 13:56 -0300, Eduardo Ariel Menendez Proupin wrote: > Density functional theory: a practical introduction > David S. Sholl,Janice A. Steckel
interesting reference! > 72/8 > 9.00000000000000000000 > 694/9 > 77.11111111111111111111 > 694/9-76.276 > .83511111111111111111 > So, where does the 7 Ry difference arise? 694-76.276*9=7.516 :-) P. -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
