Tags: tool:siesta

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  1. el-abed haidar


  2. Computer Modeling Module: Chemical Reaction Simulation using SIESTA

    23 Aug 2017 | | 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 and the assignment are included.Learning outcomes:Get familiar with SIESTA tool and activation...

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

    Closed | Responses: 0


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

    Closed | Responses: 0


  5. How to calcualte elastic constants with this?

    Closed | Responses: 1