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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...
Is there any way to specify multiplicity in an uploaded file?
Closed | Responses: 0
Is there a good method for determining modes of vibration using SIESTA?
How to calcualte elastic constants with this?
Closed | Responses: 1