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 Hands-on session. Complete characterization of a material. The case of SrTiO3  
Updated May 2016  
 
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Lattice constant and bulk modulus
 
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Pseudos, input, and README 
   
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Band structure
 
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Pseudos, input, and README 
   
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Density of States and Projected Density of States
 
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Pseudos, input, and README 
   
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Fat bands
 
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Pseudos, input, and README 
   
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Born effective charges
 
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Pseudos, input, and README 
   
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Interface with WANNIER90, directly called from SIESTA (version 5.0)
 
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Pseudos, input, and README
   
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Plotting the Fermi surface from SIESTA (version 5.0)
 
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Pseudos, input, and README
   
  
 
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