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Atomistic Simulation Centre

Modelling Materials at the Atomic Scale

School of Mathematics and Physics, Queen's University Belfast
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Computer Packages

On this page are presented computer codes that are fully or partly developed by ASC members. Here we provide only links to the documentation. Having read this, if you think any of these codes may be useful to you then in the first instance contact the webmaster for details on how to obtain the source.

Aten GUI modeller
Correlated electron-ion dynamics (CEID) p-DINAMO
LMTO suite LMTO-ASA
fp-lmto
tight binding
Exact diagonalisation program EDP (pdf)
Quantum mechanical time evolution OMP-QDYN (pdf)
mlzp Plotting program creating simple eps files mlzp
Time dependent tight-binding + U TDTB+UJ