Núria López and Group

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  • MatWeb Conversions
A useful unit conversor:  http://www.matweb.com/tools/conversion.asp 
  • Cohesive Energies:

Cohesive Energies data in a pdf document: File:Cohesive Energies.pdf

  • Platinum Group Metals properties

Lots of data on metals and alloys: [1] [2]

  • Crystal structures:

Calculated Cell parameters for some transition and noble metals.

Crystal lattice prototypes [3]

Rutile related structures

Wyckoff's Crystal Structures, vol. 1 File:CrystalStructures Wyckoff vol1.pdf


  • List of very useful papers

Fundamentals of Plane Wave calculations: [4] Test on functionals: [5] CI-NEB: d-band model: [6] Universality and related concepts: [7] [8] [9] Bayesian: [10]


  • Computational scaling

File:Computational scaling.pdf