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Introduction to DFTB+ Introduction to DFTB+

Introduction to DFTB+ - PowerPoint Presentation

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Uploaded On 2017-05-26

Introduction to DFTB+ - PPT Presentation

Martin Persson Accelrys Cambridge DFTB Why DFTB Basic theory DFTB Performance DFTB in Materials Studio Energy Geometry Dynamics Parameterization Parameterization Basic theory Setting up a parameterization ID: 552686

terms dftb density dft dftb terms dft density energy magnetization basis atomic elements order hamiltonian repulsive range systems charge

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