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VNL and ATK documentation — QuantumWise 2016.4 documentation

Installing and running the software. How to read this manual. Total energy and forces. TremoloX potential parameter sets. ASAP potential parameter sets. Python packages in NanoLanguage. Using NumPy with NanoLanguage. Cloning of ATK Python objects. Physical quantities and units. Note about Spin.All. Note on Spin in low level interface functions. Built-in parameter sets in ATK-SE. Slater–Koster basis sets. Extended Hückel basis sets. Introduction to Atomistix ToolKit and Virtual NanoLab. Using the Move Tool.

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VNL and ATK documentation — QuantumWise 2016.4 documentation | docs.quantumwise.com Reviews

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Installing and running the software. How to read this manual. Total energy and forces. TremoloX potential parameter sets. ASAP potential parameter sets. Python packages in NanoLanguage. Using NumPy with NanoLanguage. Cloning of ATK Python objects. Physical quantities and units. Note about Spin.All. Note on Spin in low level interface functions. Built-in parameter sets in ATK-SE. Slater–Koster basis sets. Extended Hückel basis sets. Introduction to Atomistix ToolKit and Virtual NanoLab. Using the Move Tool.

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1 quantumwise

2 atk manual

3 general

4 introduction

5 atomic scale simulators

6 atk dft

7 background information

8 atk se

9 parameters

10 negf formalism

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VNL and ATK documentation — QuantumWise 2016.4 documentation | docs.quantumwise.com Reviews

https://docs.quantumwise.com

Installing and running the software. How to read this manual. Total energy and forces. TremoloX potential parameter sets. ASAP potential parameter sets. Python packages in NanoLanguage. Using NumPy with NanoLanguage. Cloning of ATK Python objects. Physical quantities and units. Note about Spin.All. Note on Spin in low level interface functions. Built-in parameter sets in ATK-SE. Slater–Koster basis sets. Extended Hückel basis sets. Introduction to Atomistix ToolKit and Virtual NanoLab. Using the Move Tool.

INTERNAL PAGES

docs.quantumwise.com

1

Introduction to Atomistix ToolKit and Virtual NanoLab — QuantumWise 2016.4 documentation

http://www.docs.quantumwise.com/tutorials/intro_vnl_atk/intro_vnl_atk.html

Installing and running the software. How to read this manual. Total energy and forces. TremoloX potential parameter sets. ASAP potential parameter sets. Python packages in NanoLanguage. Using NumPy with NanoLanguage. Cloning of ATK Python objects. Physical quantities and units. Note about Spin.All. Note on Spin in low level interface functions. Built-in parameter sets in ATK-SE. Slater–Koster basis sets. Extended Hückel basis sets. Introduction to Atomistix ToolKit and Virtual NanoLab. Using the Move Tool.

2

NanoLanguage Reference Manual — QuantumWise 2016.4 documentation

http://www.docs.quantumwise.com/manuals/NLRefMan.html

Installing and running the software. How to read this manual. Total energy and forces. TremoloX potential parameter sets. ASAP potential parameter sets. Python packages in NanoLanguage. Using NumPy with NanoLanguage. Cloning of ATK Python objects. Physical quantities and units. Note about Spin.All. Note on Spin in low level interface functions. Built-in parameter sets in ATK-SE. Slater–Koster basis sets. Extended Hückel basis sets. Introduction to Atomistix ToolKit and Virtual NanoLab. Using the Move Tool.

3

Atomic data — QuantumWise 2016.4 documentation

http://www.docs.quantumwise.com/manuals/AtomicData.html

Installing and running the software. How to read this manual. Total energy and forces. TremoloX potential parameter sets. ASAP potential parameter sets. Python packages in NanoLanguage. Using NumPy with NanoLanguage. Cloning of ATK Python objects. Physical quantities and units. Note about Spin.All. Note on Spin in low level interface functions. Built-in parameter sets in ATK-SE. Slater–Koster basis sets. Extended Hückel basis sets. Introduction to Atomistix ToolKit and Virtual NanoLab. Using the Move Tool.

4

ATK-DFT — QuantumWise 2016.4 documentation

http://www.docs.quantumwise.com/manuals/ATKDFT.html

Installing and running the software. How to read this manual. Total energy and forces. TremoloX potential parameter sets. ASAP potential parameter sets. Python packages in NanoLanguage. Using NumPy with NanoLanguage. Cloning of ATK Python objects. Physical quantities and units. Note about Spin.All. Note on Spin in low level interface functions. Built-in parameter sets in ATK-SE. Slater–Koster basis sets. Extended Hückel basis sets. Introduction to Atomistix ToolKit and Virtual NanoLab. Using the Move Tool.

5

Tutorials — QuantumWise 2016.4 documentation

http://www.docs.quantumwise.com/tutorials/tutorials.html

Installing and running the software. How to read this manual. Total energy and forces. TremoloX potential parameter sets. ASAP potential parameter sets. Python packages in NanoLanguage. Using NumPy with NanoLanguage. Cloning of ATK Python objects. Physical quantities and units. Note about Spin.All. Note on Spin in low level interface functions. Built-in parameter sets in ATK-SE. Slater–Koster basis sets. Extended Hückel basis sets. Introduction to Atomistix ToolKit and Virtual NanoLab. Using the Move Tool.

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Spintronics and MRAM in ATK | QuantumWise

http://quantumwise.com/applications/spintronics-mram

Free VNL license for academics. Spintronics and MRAM in ATK. The Atomistix ToolKit (ATK-2014) includes the latest innovation in simulations of spintronics devices using Density Functional Theory (DFT), including non-collinear calculations with spin-orbit interactions, MetaGGA functionals, NonEquilibrium Greens Functions (NEGF) device simulations. ATK-2014 has improved the self-consistent loop for non-collinear systems, making the software very fast and robust. Keep your focus and reach results faster.

quantumwise.com

Feature List | QuantumWise

http://www.quantumwise.com/products/features

Free VNL license for academics. Virtual NanoLab with Atomistix ToolKit is a general-purpose atomic-scale modeling and simulation platform that combines a wide range of methods and models. ATK and VNL are constantly developed. Check out our news section for more detailed information on product updates. TRANSPORT CALCULATIONS and ANALYSIS. ION and MOLECULAR DYNAMICS (MD). GRAPHICAL USER INTERFACE: VNL. LCAO-based Density Functional Theory (DFT). Numerical atomic orbital basis sets (SIESTA type). Dual", "on...

quantumwise.com

Nanotube studies in ATK | QuantumWise

http://www.quantumwise.com/applications/nanotubes

Free VNL license for academics. Nanotube studies in ATK. Carbon nanotubes are, next to molecular electronics, the most common application area for the QuantumWise software. Both academic research and industrial R&D groups use the products extensively to investigate various aspects of nanotubes, ranging from basic properties to specific device applications like diodes, switches, and sensors. If you are interested in studying nanotubes with ATK, an excellent starting point will be the tutorials. ATK is cap...

quantumwise.com

Home | QuantumWise

http://www.quantumwise.com/en

Free VNL license for academics. Calculate electronic transport properties. DFT, Semi-Empirical, and Classical. Integrate with VASP, Abinit, FHI-Aims, QuantumEspresso, and more. See the feature list. What does ATK cost? 45 699 01 888. Subscribe to our Newsletter. Thank you for Signing Up. Please correct the marked field(s) below. 1,true,6,Contact Email,2. 1,false,1,Last Name,2. Simulation software for nanoscience and innovation. NEWS Subscribe via RSS. Hands-on tutorial at IEEE Nano 2016 in Sendai, Japan.

quantumwise.com

Support | QuantumWise

http://www.quantumwise.com/support

Free VNL license for academics. QuantumWise is highly committed to providing its customers with high quality technical support and assistance. Choose from the following resources to explore the various possibilities to receive answers to any questions you might have regarding our products! The manuals are the primary resources for basic information about functionality, concepts and background theory, function keywords and other Python-related questions. If needed, we can offer remote support where a Quan...

quantumwise.com

Testimonials | QuantumWise

http://www.quantumwise.com/products/testimonials

Free VNL license for academics. What our customers say about us and our products! The Electronics Theory Group at the Tyndall National Institute in Ireland works directly with worlds largest semiconductor manufacturers to explore design issues for transistors and metal interconnects, the switches and wiring in modern electronic circuits. I am stunned by the ease of use, the intuitiveness of the interface and the interactivity and beauty of the graphic display. I would also commend the folks at QW for the...

quantumwise.com

Try Atomistix ToolKit and Virtual NanoLab | QuantumWise

http://www.quantumwise.com/free-trial

Free VNL license for academics. Try Atomistix ToolKit and Virtual NanoLab. Download the full package. Install and run VNL and ATK. A 15 days demo license is created at the first startup*. This will enable you to run a fully functional version of VNL and ATK. After this 15-days demo period expires, you may apply for an extended trial license by providing your complete and verifiable affiliation on the trial license form. You need an internet connection to get the demo license. Apply for a trial license.

quantumwise.com

Complex interface studies with ATK | QuantumWise

http://www.quantumwise.com/applications/interfaces

Free VNL license for academics. Complex interface studies with ATK. The QuantumWise software platform, with the first-principles engine Atomistix ToolKit (ATK). And the graphical user interface Virtual NanoLab (VNL). The unique feature of ATK to calculate ballistic tunneling current in nanostructures enables users to:. Compute the current-voltage characteristics. Of a junction, and from this extract e.g. Calculate spin transport properties in magnetic tunnel junctions. Investigate the influence of defects.

quantumwise.com

Atomistix ToolKit | QuantumWise

http://www.quantumwise.com/products/atk

Free VNL license for academics. Offers unique capabilities for simulating electrical transport properties of nanodevices on the atomic scale. Based on an open architecture which integrates a powerful scripting language with a graphical user interface, ATK. Is a comprehensive platform for studies in nanoelectronics, using both accurate first-principles (DFT) and fast semi-empirical methods and classical potentials. Moreover, ATK. Simulation software for nanoscience professionals. Use the Scripter as an in...

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Products | QuantumWise

http://www.quantumwise.com/products

Free VNL license for academics. Simulation software for nanoscience. Atomistix ToolKit with Virtual NanoLab. Free GUI for academic users. All-electron calculations with FHI-aims. LATEST ATK VERSION: 2016.0 (June 21, 2016). Simulation software for nanoscience. Download Atomistix ToolKit and Virtual NanoLab as one complete package and get started today. Simulation software for nanoscience professionals. Atomistix ToolKit (ATK) is the most complete software for simulations at the atomic scale. More than fiv...

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VNL and ATK documentation — QuantumWise 2016.4 documentation

Installing and running the software. How to read this manual. Total energy and forces. TremoloX potential parameter sets. ASAP potential parameter sets. Python packages in NanoLanguage. Using NumPy with NanoLanguage. Cloning of ATK Python objects. Physical quantities and units. Note about Spin.All. Note on Spin in low level interface functions. Built-in parameter sets in ATK-SE. Slater–Koster basis sets. Extended Hückel basis sets. Introduction to Atomistix ToolKit and Virtual NanoLab. Using the Move Tool.

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