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  • ABCAP

ABCAP

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An open-source application for first-principles calculation utilizing the all-electron method. This application produces band structures, density of states, Fermi surfaces, and dielectric response functions for a wide range of systems by density functional theory. It provides more accurate results than pseudo-potential methods, and is suited in particular to electronic structure calculation of magnetic materials including d-orbital electrons.

ALPSチュートリアル

Open-source software for lattice models of strongly correlated quantum systems

Tutorial

http://alps.comp-phys.org/mediawiki/index.php/ALPS_2_Tutorials:Overview

Input/Output format

XML, HDF5, Python, plain text

Samples

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  • The Institute for Solid State Physics
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