Hi all, I am trying to find some description of the Optical.Mesh variable which is more detailed than the one given in the Siesta manual. Some of my colleagues insist that the convergence of optical properties eps(w) with respect to the number of k-points in the integral wrt k over the BZ has to be shown not based on the vaues in the Optical.Mesh but rather based on the values of MonkhorstPack_grid. How can I prove the opposite, i.e. that BZ sampling grid refinement for optical property calculations must be based on the Optical.Mesh variable?
Thanks, Andrey Semichaevsky, CEMOS, ECE Dept., UMass Lowell ________________________________________ PeoplePC Online A better way to Internet http://www.peoplepc.com
