Suggestions for using this calculator can be found at this page.

**Reference:** Mattsson, Armiento, Schultz, and Mattsson, PRB **73**, 195123 (2006).

This calculator is based on simpler, better, formulas than the old one and also gives separate corrections for PW91 and PBE.

If you want to access the old calculator based on Mattsson and Mattsson, PRB **66**, 214110 (2002), click here.

Enter or change a value in any of the boxes and

Appropriate other boxes are then filled according to this value.

NOTE: Digits might be hidden to the left in the boxes!

**Surface energy correction** for the density above:

Converter for lengths: NOTE: Using this zeros out the above fields.

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This is a page under DFT at Sandia.

Maintained by: Ann E. Mattsson

Last updated: December 11, 2014