Resources
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XCrySDen
- a crystalline and molecular structure visualisation program
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V_Sim
- another crystalline and molecular structure visualisation program
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DRAWxtl
- a crystalline structure visualisation program which can read EXCITING files
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Bilbao Crystallographic Server
- a web site with crystallographic programs and databases
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Andrew Chizmeshya site
- sample EXCITING input and output files for a number of molecular and
condensed phase systems
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G95
- a free, open source Fortran 90/95 compiler
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GNU Fortran
- another free, open source Fortran 90/95 compiler
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GotoBLAS
- an optimised implementation of the BLAS library available for a range of
architectures
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ATLAS
- Automatically Tuned Linear Algebra Software: an optimised implementation of
BLAS and a subset of LAPACK
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FFTW
- a highly efficient fast Fourier transform (FFT) library compatible with
EXCITING
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Grace
- a WYSIWYG 2D plotting tool for the X Window System
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OpenDX
- a powerful, full-featured software package for the visualization of
scientific data
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ProTeX
- a perl script to produce a LaTeX compatible document from Fortran source
code
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Planewaves, Pseudopotentials, and the LAPW Method
- a very useful book by David Singh and Lars Nordström
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NEdit
- a multi-purpose text editor with syntax highlighting available for EXCITING
input and output
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JEdit
- an excellent Java-based text editor which has been used for almost all
EXCITING development
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VESTA
- a 3D visualisation program for structural models and data which can read
EXCITING files
Other DFT codes
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ABINIT
- a highly sophisticated open source pseudopotential plane wave code
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PWSCF
- another open source pseudopotential plane wave code
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Octopus
- a pseudopotential code specialising in time-dependent DFT
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Wien2k
- a powerful FP-LAPW code with a large user community
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FLEUR code
- another FP-LAPW code with emphasis on magnetism and surface
calculations
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RSPt
- an efficient open source relativistic FP-LMTO code
People and groups
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Kay Dewhurst
- Your Humble Servant
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Sangeeta Sharma
- Specialising in DFT methods
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Claudia Ambrosch-Draxl
- EXCITING Network leader and Chair of Atomistic Modelling and Design of Materials
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Institut für Physik,
Karl-Franzens-Universität Graz
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Atomistic Modelling
and Design of Materials, University of Leoben
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Density Functional
Theory Group of E. K. U. Gross
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Condensed Matter Theory Group,
Uppsala