Carbon

With the following input parameters for the atompaw code:

PAW Trial
Exc. Form
Rc (bohr)
atompaw Input File
atompaw Output File
#1
GGA
1.0
#1
LDA
1.0
#2
GGA
1.3
#2
LDA
1.3

The pwpaw code was used to make the following crystals yielding the following output properties:

Crystal (type)
Test Results
Convergence Graphs
Sample pwpaw Input File
Sample pwpaw Output File
CO (diatomic molecule)
(PAW #1)
C (diamond structure)
(PAW #2)
Crystal 3
-
-
-
-

This page last modified on May 31, 2007 by Nick Dellaripa

Please send questions or comments to Nick Dellaripa at dellnw3@wfu.edu or N.A.W. Holzwarth at natalie@wfu.edu

Return to the Periodic Table of PAW Functions

Return to Wake Forest Home