September 20, 2020, 04:00:29 PM
Forum Rules: Read This Before Posting


Topic: DFT calculations for solids  (Read 3456 times)

0 Members and 1 Guest are viewing this topic.

Offline Jd1828

  • Chemist
  • Regular Member
  • *
  • Posts: 63
  • Mole Snacks: +2/-0
  • Gender: Male
DFT calculations for solids
« on: November 23, 2005, 04:31:11 PM »
does anyone know of where I could find some calculated pseudopotentials for a solid crystal.  Ill go for just about any solid, although CO2 is what I would really need.  Im just trying to see if my calculations are anywhere close to what they should be.
« Last Edit: November 23, 2005, 04:31:52 PM by Jd1828 »

Sponsored Links