hi, they to change the broadening, increase the k points, or reduce increase dE the spacing of the energy in PDOS. s.auluck
> hi dear siesta users > I plot PDOS of C-2z of carbon in my system (benzene which is > fucntionalized with methyl group) . Surprisingly I face with infinitesimal > negative value in my curve? > is it possible? > > > I confused!! ....................................................................... Prof. Sushil Auluck Phone:+91-512-6797092/6148 Department of Physics +91-512-6798177(Home) Indian Institute of Technology Cell :+91-9305548667 Kanpur 208016 (UP) Fax :+91-512-6790914 India E-mail:[email protected] ...............................................:[email protected] http://www.iitk.ac.in/phy/People/phy_facvis.html http://www.iitk.ac.in/phy/New01/profile_SA.html ....................................................................... ~
