Contents

  1. Hop on - bash, python, atomistic simulation environment [link]
  2. Self-consistent field DFT calculations of Aluminium [link]
  3. Convergence study of the self-consistent field calculations [link]
  4. Density of states and band structure calculations [link]
  5. Fermi surface, projected density of states, band structure and electron density of FCC Cu [link]
  6. Calculation of equilibrium structures of molecules link
  7. Equilibrium structures and deformation of crystals [link]
  8. Magnetic properties of bcc Fe and FeO [link]
  9. Calculation of surface states, work function and STM [link]
  10. Phonons calculation for silicon [link]
  11. Electronic structure of graphene and its Wannierization [link]

Martin Gmitra :: martin.gmitra@upjs.sk
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