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Chemistry Forums for Students => Physical Chemistry Forum => Topic started by: Jd1828 on November 23, 2005, 04:31:11 PM

Title: DFT calculations for solids
Post by: Jd1828 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.