Computational Material Science and Nano Science Group

Lawrence Berkeley National Laboratory

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Software










PEtot
: A planewave pseudopotential DFT calculation code

 

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Escan
: The folded spectrum method and generalized moments method for large scale nanoscience calculations

 

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SLCBB: Linear combination of bulk band method code for empirical pseudopotential semiconductor nanosystem and device simulations.

 

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PEtot_trans: A quantum transport code based on plane wave pseudopotential DFT calculation and the original PEtot code.

 

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LS3DF : Linear scaling three dimensional fragment method code for large system DFT calculations. This is a divide and conquer method for large systems, and it can use tens of thousands of processors.

 

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Charge Patching Method : This is a suit of codes for charge paching method for inorganic quantum dot calculations. It also contains a database for charge motifs.

 

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     Computational Material Science and Nano Science
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