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Features/Capabilities
The Alloy-Theoretic Automated Toolkit (ATAT): A User Guide
Axel van de Walle
Features/Capabilities
Credits and Licence
Collaborators and Credits
Financial Support
License 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
With queueing systems
Without queueing systems
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
apb
corrdump
cv
cvmclus
emc2
epic
felec
fempmag
fitfc
fitsvsl
gce
gensqs
infdet
maps
mcsqs
memc2
mindist
mmaps
phb
predcs
svsl
Command line options
3d2gnu
apb
cellcvrt
checkcell
corrdump
csfit
cv
cvmclus
emc2
felec
fitfc
fitsvsl
fixcell
gce
gencs
gensqs
genstr
infdet
kmesh
lsfit
maps
mcsqs
memc2
mindist
mkaxes
mmaps
nnshell
nntouch
pdef
phb
simplexize
strpath
surfbond
svsl
triph
getclus
mapsrep
mmapsrep
str2xyz
makelat
clusterexpand
mkteci
clusterpredict
checkrelax
calcbulk
mcdroplast
str2cif
wycked
getproto
sqs2tdb
symbrklib
ocplotpd
getvalue
getlines
nltoblank
blanktonl
foreachfile
calc
sspp
chl
minload
node
pollmach
fixeol
lookup
runstruct-vasp
ezvasp
robustrelax-vasp
str2poscar
Troubleshooting
Forum
FAQ
Common mistakes
Organization of the Toolkit
avdw@alum.mit.edu Sat, Jun 21, 2025 12:31:12 AM
