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    • “On the fly” generation of pseudopotentials in CASTEP
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Extras

  • Checklist of details about calculations to be reported
  • “On the fly” generation of pseudopotentials in CASTEP
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Recent Posts

  • Hopping Diffusion Barrier for Silver on the 100 Facet
  • Effect of Te substitution on band structure and density of states in FeSe with PbO structure
  • 1-D band structure of polythiophene using different functionals
  • Band structure of bulk and monolayer WSe2
  • Surface diffusion of lithium adatom on Li 001 surface via hopping and substitution

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