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TBPW

Author/Affiliation
  • Dyutiman Das, UIUC
  • William Mattson, UIUC
  • Nichols A. Romero, UIUC
  • Richard M. Martin, UIUC
    • Author emailnromero@uiuc.edu
    Description of Software TBPW is an electronic structure code primarily intended for pedagoical purposes. It is written from the ground-up in a modular style using Fortran 90. This code is composed of two distinct parts: a tightbinding (TB) and plane wave (PW). Additionally, there is a plane wave density (PWD) code which outputs the electron density on a grid.

    The main characteristics of these codes are:

    • Readily provides band structure plots
    • TB implemented using a rotation matrix formalism allows the use of orbitals with arbitrary angular momentum l
    • PW implemented using the option of diagonalisation via direct-inversion

    Send email to tbpw-subscribe at mcc.uiuc.edu to subscribe to the mailing list, tbpw at mcc.uiuc.edu.

    This material is based upon work supported by the NSF under Award No. 99-76550 and the DOE under Award No. DEFG-96-ER45439.

    Submitted2003-01-31
    DisclaimerDeveloped by Electronic Structure Group, University of Illinois, Department of Physics, http://www.physics.uiuc.edu/research/ElectronicStructure/

    Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the Software), to deal with the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions:
    • Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimers.
    • Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimers in the documentation and/or other materials provided with the distribution.
    • Neither the names of the Electronic Structure Group, the University of Illinois, nor the names of its contributors may be used to endorse or promote products derived from this Software without specific prior written permission.
    THE SOFTWARE IS PROVIDED AS IS, WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS WITH THE SOFTWARE.
    CopyrightUniversity of Illinois Open Source License. Copyright (c) 2003, University of Illinois Board of Trustees. All rights reserved. Users also agree to terms of License Agreement
    Download software from MCC:TBPW1.1.tar.gz (765 kB)

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    Download documentation from MCC:tbpwdoc1.1.pdf