The FLAPW Method

The FLAPW-Method is developped in collaboraton with the group of Raimund Podloucky (Uni-Wien), Toshio Asada (Shizuoka University) and Michael Weinert (BNL). It is a bulk code and a surface code (truely two-dimensional).

It contains:

  1. More than one energy panel
  2. Second variation techniques to speed up eigenvalue problem
  3. Downfolding into subspace to speed up eigenvalue problem
  4. Local orbitals to suppliment the LAPW-basis (under development)
  5. Forces excerted on the atoms
  6. Electric fields applied to surfaces (under development)
  7. Spin-Orbit interaction in combination with magnetism (under development)
  8. For non-collinear magnetic structures (under development) link zu Ph.Kurz
  9. Full-relativistic treatment of core electrons (Dirac + Magnetism)
  10. Fast Fourier Transforms
  11. LDA XC: X_{alpha}, Wigner, MJW, VWN, Perdew-Zunger, BH
    GGA XC: PW91
  12. Quasi-Newton-Methods to accelerate charge self-consistency