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Technical Notes on OpenMX and ADPACK



  • Total Energy and Forces (Ver. 1.2, 11/June/2008)     PDF   |   HTML

  • Efficient Projector Expansion in LCAO methods (Ver. 1.0, 1/March/2010)     PDF   |   HTML

  • Numerical Atomic Basis Orbitals from H to Kr (Ver. 1.0, 1/March/2010)     PDF   |   HTML

  • Non-Collinear Spin Density Functional (Ver. 1.0, 20/Aug./2007)     PDF   |   HTML

  • O(N) Krylov Subspace Method (Ver. 1.1, 11/June/2008)     PDF   |   HTML

  • Efficient Integration of Green's Functions (Ver. 1.1, 11/June/2008)     PDF   |   HTML

  • Orbital Optimization Method (Ver. 1.0, 20/Aug./2007)     PDF   |   HTML

  • LDA+U Method (Ver. 1.0, 20/Aug./2007)     PDF1   | PDF2   |   HTML

  • Geometry Optimization (Ver. 1.0, 20/Aug./2007)     PDF   |   HTML

  • Extrapolation of Charge Density (Ver. 1.0, 20/Aug./2007)     PDF   |   HTML

  • Charge Analysis (Ver. 1.0, 20/Aug./2007)     PDF   |   HTML

  • Householder Method for Tridiagonalization (Ver. 1.0, 20/Aug./2007)     PDF   |   HTML

  • Electric Polarization by Berry Phase (Ver. 1.1, 11/June/2008)     PDF   |   HTML

  • Charge Mixing Methods (Ver. 1.0, 20/Aug./2007)     PDF   |   HTML

  • Two Electron Repulsion Integrals (Ver. 1.0, 2/Oct./2009)     PDF   |   HTML

  • Fast Sperical Bessel Transform (Ver. 1.0, 1/Dec./2009)     PDF   |   HTML

  • Electronic Tranport Calculations (Ver. 1.0, 26/Jan./2010)     PDF   |   HTML

  • Low-order Scaling Method (Ver. 1.0, 23/Aug./2010)     PDF   |   HTML

  • Finite Element Method for Atoms (Ver. 1.0, 1/March/2011)     PDF1   | PDF2   |   HTML

  • Exchange Functional by a Model Hole (Ver. 1.0, 1/Apr./2011)     PDF   |   HTML

  • Overview of OpenMX Ver.3.3 (Ver. 1.0, 02/Jan./2007)     PDF

  • Linear-Scaling Methods in OpenMX (Ver. 1.0, 02/Jan./2009)     PDF

  • Constrained Non-Collinear DFT in OpenMX (Ver. 1.0, 02/Jan./2009)     PDF

  • Nudged Elastic Band Method in OpenMX (Ver. 1.0, 06/Jan./2012)     PDF

  • Getting Started with OpenMX Ver. 3.5 (Ver. 1.0, 5/Mar./2010)     PDF