Tags: tool:siesta

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  1. Computer Modeling Module: Chemical Reaction Simulation using SIESTA

    23 Aug 2017 | Teaching Materials | Contributor(s): Lan Li

    This activity guides students through a module using the SIESTA DFT tool that is housed within the MIT Atomic Scale Modeling Toolkit on nanoHUB. Instructional videos, background reading, reminders...

    https://nanohub.org/resources/27120

  2. Is there any way to specify multiplicity in an uploaded file?

    Closed | Responses: 0

    https://nanohub.org/answers/question/1765

  3. Is there a good method for determining modes of vibration using SIESTA?

    Closed | Responses: 0

    https://nanohub.org/answers/question/1076

  4. How to calcualte elastic constants with this?

    Closed | Responses: 1

    https://nanohub.org/answers/question/464