WIEN2k

The WIEN2k package is a computer program written in Fortran which performs quantum mechanical calculations on periodic solids. It uses the full… (More)
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Topic mentions per year

Topic mentions per year

2003-2017
024620032017

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2017
2017
Structural, Electronic and optical properties of ternary chalcopyrite BeSiP2 were studied using the first principles density… (More)
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2016
2016
WIEN2k is a program package that utilizes Density Functional Theory (DFT) to describe materials and calculate their properties… (More)
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Review
2013
Review
2013
We present a module that enables computation of polarization using density functional theory based on the full potential… (More)
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2013
2013
Elastic properties play a key role in materials science and technology. The elastic tensors at any order are defined by the… (More)
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2012
2012
X-ray absorption and its dependence on the polarization of light is a powerful tool to investigate the orbital and spin moments… (More)
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2011
2011
The atomic site distribution of the complex σ-phase structure (P42/mnm) has been studied using density functional theory (within… (More)
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2010
2010
While the Grid promises to deliver a large number of computation nodes to a user, this computation power is not usable without… (More)
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2007
2007
Complex scientific applications need vast computational resources and are therefore increasingly used in a distributed computing… (More)
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2007
2007
One crucial advantage of electron energy loss spectroscopy (EELS) lies in its high sensitivity to local changes in the electronic… (More)
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2005
2005
WIEN2k, a widely used application in materials science, is taken as a representative example for grid computing. The electronic… (More)
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