- a useful tool
for various DFT clones (VASP, SIESTA, CASTEP, QUICKSTEP)
- a semiempirical INDO Hartree-Fock code which can do molecules,
and 3D periodic systems. There are forces and geometry relaxation.
- a clone of SYM-SYM which does INDO HF band-structure calculation on 3D
periodic system. By the way, it knows how to determine the space group from
- a shell-model code written specifically for purposes of AFM imaging.
It treats a
finite system of shell-model atoms positioned in the tip-surface junction and takes
self-consistently into account the image interaction with the metal electrodes and
effect of the bias. You can relax atoms and calculate the force acting on the tip.
There are also some special options in the code to facilitate the image calculations.
Latest addition: Virtual AFM added to the code so that it can now have a really powerful
engine to move the tip, while the tip force is calculated microscopically.
[Last updated on 5.8.2005]