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Introduction
The Alloy-Theoretic Automated Toolkit (ATAT): A User Guide
Axel van de Walle
Introduction
Credits and Licence
Collaborators
Financial Support
Licence and Agreements
Beta testers
Getting started
Requirements
Installation
Test MAPS with a simple example
Install the interface between MAPS and VASP
Install and test the job control utilities
Interfacing MAPS with other first-principles codes
Version History and Bugs
User guide
Introduction
Theoretical Background
Cluster expansion construction using the MAPS code
Input files
Running the code
Output of MAPS
Monte Carlo simulations
General input parameters
Examples
Interpreting the output files
Recent developments
Conclusion
Bibliography
Interfacing with ThermoCalc
Command Reference
Man pages
corrdump
cv
emc2
felec
fempmag
fitfc
fitsvsl
gce
gensqs
maps
memc2
mmaps
phb
predcs
svsl
Command line options
cellcvrt
checkcell
corrdump
csfit
cv
emc2
felec
fitfc
fitsvsl
fixcell
gce
gensqs
genstr
kmesh
lsfit
maps
memc2
mmaps
nnshell
nntouch
pdef
phb
svsl
getclus
mapsrep
str2xyz
makelat
clusterexpand
mkteci
clusterpredict
checkrelax
calcbulk
mcdroplast
getvalue
getlines
nltoblank
blanktonl
foreachfile
calc
sspp
chl
minload
node
pollmach
fixeol
runstruct-vasp
ezvasp
Troubleshooting
FAQ
Common mistakes
Organization of the Toolkit
avdw@alum.mit.edu Mon Jun 22 11:08:18 CDT 2009
