QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
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چکیده
منابع مشابه
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials.
QUANTUM ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density-functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and projector-augmented wave). The acronym ESPRESSO stands for opEn Source Package for Research in Electronic Structure, Simulation, and Optimization. It is freely available to r...
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ژورنال
عنوان ژورنال: Journal of Physics: Condensed Matter
سال: 2009
ISSN: 0953-8984,1361-648X
DOI: 10.1088/0953-8984/21/39/395502