 Calculated Phase diagram based on VASP and CASM
I think that Cluster-Assisted Statistical Mechanics (CASM) code developed
by Van der Ven Research Group at the University of Michigan [1,2] is very
useful toolkit for Materials Science researches. The CASM is a crystallography,
data analysis, and simulation toolkit that is used to link first principles
electronic structure calculations to thermodynamic and kinetic properties
of crystalline materials.
REFERENCE
[1] A. Van der Ven, J. C. Thomas, Qingchuan Xu, B. Swoboda, D. Morgan:
Physical Review B, 78 (2008) 104306 .
[2] A. Van der Ven, J. C. Thomas, Qingchuan Xu, J. Bhattacharya,: Mathematics
and Computers in Simulation, 80 (2010) 1393.
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