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...


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

    Closed | Responses: 0


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

    Closed | Responses: 0


  4. How to calcualte elastic constants with this?

    Closed | Responses: 1