Dismiss Notice
Join Physics Forums Today!
The friendliest, high quality science and math community on the planet! Everyone who loves science is here!

What is altra soft pseudopotential?

  1. Dec 10, 2005 #1
    I would like to know the definition of altra soft pseudopotential.(in solid state
  2. jcsd
  3. Dec 10, 2005 #2
    An ultra soft pseudopotential is defined by the fact that you need a low cut off value for the plane waves. This means that you need a lot of plane waves to properly approximate the (valence) electron-nucleus potential. In other words, the pseudopotential yields a good approximation for the e-n-potential (and ofcourse the all electron-wavefunction) starting from a small distance away from the core electrons. The plane wave cut off is defined as the distance between the core electrons and the valence electrons of an atom.

    More to be found here and here

Share this great discussion with others via Reddit, Google+, Twitter, or Facebook