Tags: MPI

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  1. The DFT calculation for Amorphous Silica is not able to process showing an error I am not able to understand.

    Q&A|Closed | Responses: 1

    Whenever I am trying to perform DFT calculation of any molecule there comes the type of error which is not understandable. The recent one being for amorphous Silica stating " from pp_check_file :...

    https://nanohub.org/answers/question/2483

  2. ANGEL - A Nonequilibrium Green Function Solver for LEDs

    18 Jan 2010 | | Contributor(s):: sebastian steiger

    An MPI-parallelized implementation of 1-D NEGF for heterostructures. Includes off-diagonal scattering. Effective mass band structure for electrons and holes. The online tool only provides basic NEGF functionality without scattering.

  3. ANGEL - A Nonequilibrium Green's Function Solver for LEDs

    06 Feb 2010 | | Contributor(s):: sebastian steiger

    Introducing ANGEL, a Nonequilibrium Green’s Function code aimed at describing LEDs.ANGEL uses a description close to the classic NEMO-1D paper (Lake et al., JAP 81, 7845 (1997)) to model quantum transport in a light-emitting diode (LED).ANGEL is the first 1D-heterostructure NEGF to include the...