Potassium

With the following input parameters for the atompaw code:

PAW Trial
Exc. Form
Rc (bohr)
atompaw Input File
atompaw Output File
#1
GGA
2.6
#1
LDA
2.6
#2
GGA
2.5
#2
LDA
2.5

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
K Metal (FCC)
(PAW #1)
KF (FCC)
(PAW #2)
Crystal 3
-
-
-
-

This page last modified on June 5, 2009 by David Harris

Please send questions or comments to David Harris at harrisdt@wfu.edu, or N.A.W. Holzwarth at natalie@wfu.edu

Return to the Periodic Table of PAW Functions

Return to Wake Forest Home