02.06.2014 Views

Siesta I - Psi-k

Siesta I - Psi-k

Siesta I - Psi-k

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Summary<br />

• Essentials of linear-scaling DFT around SIESTA<br />

• Exploiting locality explicitly (except for Hartree)<br />

• Still much to do (metals, generality, robustness)<br />

• Larger sizes open up to calculations<br />

• BUT: facing the complexity barrier!

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