Nanostructures Departement

MTA EK MFA Budapest

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Wave Packet Dynamical Simulation Package (WPD)
  • Calculation of dynamical processes
  • Tunneling probability and current
  • Eigenstates, wave functions
  • Density distributions
  • Calculations for realistic models even on a PC
  • Well paralellizable algorithm for multicore computers
  • http://www.mfa.kfki.hu/~mark/phd/index.html
Web-Schrödinger Interactive Schrödinger Equation Solver
VASP DFT (Vienna Ab-initio Simulation Package)
  • Calculation of electronic structure
  • Geometry optimization
  • LDA, GGAs, metaGGAs
  • Hartree-Fock, Hartree-Fock/DFT hybrids
  • Calculations for realistic models even on a PC
  • Well paralellizable algorithm for multicore computers
  • https://www.vasp.at

Last updated: January 21, 2015 by Géza I. Márk , mark@sunserv.kfki.hu
This page was accessed  times since November 12, 2013.