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start [2014/03/18 11:21]
frose
start [2014/11/12 19:23] (current)
frose
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-A//​f//​lowlib [[documentation| Documentation]] Wikinow with <​latex>​ \LaTeXe</​latex>​+====== Introduction ====== 
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 +!!Aflow!! is a method for high-throughput computational materials design. It automates calculations using ab initio electronic structure methods such as VASP and Quantum Espresso. 
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 +!!Aflow!! can calculate physical properties such asrelaxed geometrieselectronic and phonon band structures, magnetic properties, and thermodynamic properties.  
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 +It features powerful post-processing tools to automatically generate plots of band structure and density of states, as well as plots of phase diagrams. ​!!Aflow!! can also be utilized to extract properties such as heat capacity, formation energy, and magnetic configuration.
  
start.1395156108.txt.gz · Last modified: 2014/03/18 11:21 by frose