By Lucas Wagner1, Jeffrey C Grossman2, Joe Ringgenberg3, daniel richards3, Alexander S McLeod4, Eric Isaacs5, Jeffrey B. Neaton5

1. Massachusetts Institute of Technology (MIT) 2. Massachusetts Institute of Technology 3. University of California, Berkeley 4. University of California - Berkeley 5. Lawrence Berkeley National Laboratory

Use SIESTA to perform electronic structure calculations

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Version 2.0.4 - published on 03 Feb 2017

doi:10.4231/D3P55DJ03 cite this

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1765 Is there any way to specify multiplicity in an uploaded file?
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1076 Is there a good method for determining modes of vibration using SIESTA?
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464 How to calcualte elastic constants with this?
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