Ergo, version 3.2, a program for linear scaling electronic structure calculations. Copyright (C) 2012 Elias Rudberg, Emanuel H. Rubensson, and Pawel Salek. This program is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program. If not, see <http://www.gnu.org/licenses/>. Primary academic reference: KohnâSham Density Functional Theory Electronic Structure Calculations with Linearly Scaling Computational Time and Memory Usage, Elias Rudberg, Emanuel H. Rubensson, and Pawel Salek, J. Chem. Theory Comput. 7, 340 (2011), <http://dx.doi.org/10.1021/ct100611z> For further information about Ergo, see <http://www.ergoscf.org>.