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-{\color{black}\bf How to proceed \ldots}\\[0.1cm]
-MC $\rightarrow$ empirical potential MD $\rightarrow$ Ground-state DFT \ldots
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- \item beyond LDA/GGA methods \& ground-state DFT
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-Investigation of structure \& structural evolution \ldots
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- \item electronic/optical properties
- \item electronic correlations
- \item non-equilibrium systems
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