DFTB+ Recipes
stable
Introduction
Basic usage
Molecular dynamics
Graphene defect calculations
Electronic dynamics
Parallel usage of DFTB+
Introduction
Amdahl’s law
Gustafson’s law
Compiling the code
Benchmarking and scalability
Property calculations
REKS
Electron transport
Interfaces with other codes
Licence
Bibliography
DFTB+ Recipes
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Parallel usage of DFTB+
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Parallel usage of DFTB+
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Introduction
Amdahl’s law
Gustafson’s law
Compiling the code
Benchmarking and scalability
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