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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Other Codes : These are the other small codes which can be used to realize different functions. These codes are not completely stand alone packages, thus they can either be inserted into other big packages to realize some special functionalities, or they can be used to study how some special functionalities are implemented.

 

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     Computational Material Science and Nano Science
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