Resources
• XCrySDen
- a crystalline and molecular structure visualisation program
• V_Sim
- another crystalline and molecular structure visualisation program
• DRAWxtl
- a crystalline structure visualisation program which can read Elk files
• Bilbao Crystallographic Server
- a web site with crystallographic programs and databases
• Andrew Chizmeshya site
- sample input and output files for a number of molecular and
condensed phase systems
• G95
- a free, open source Fortran 90/95 compiler
• GNU Fortran
- another free, open source Fortran 90/95 compiler
• GotoBLAS
- an optimised implementation of the BLAS library available for a range of
architectures
• ATLAS
- Automatically Tuned Linear Algebra Software: an optimised implementation of
BLAS and a subset of LAPACK
• FFTW
- a highly efficient fast Fourier transform (FFT) library compatible with
Elk
• Grace
- a WYSIWYG 2D plotting tool for the X Window System
• OpenDX
- a powerful, full-featured software package for the visualization of
scientific data
• ProTeX
- a perl script to produce a LaTeX compatible document from Fortran source
code
•
Planewaves, Pseudopotentials, and the LAPW Method
- a very useful book by David Singh and Lars Nordström
•
NEdit
- a multi-purpose text editor with syntax highlighting available for Elk
input and output
•
JEdit
- an excellent Java-based text editor which has been used for almost all
Elk development
•
VESTA
- a 3D visualisation program for structural models and data which can read
Elk files
• ASE
- The Atomic Simulation Environment
• CODATA
- internationally recommended values of the fundamental physical constants
and energy equivalents
•
Intel MKL link line advisor - useful for finding the library dependencies
of the Intel compiler
•
Testing ABINIT PAW datasets with Elk - a tutorial written by Martin Stankovski
Other DFT codes
• Special versions of Elk/EXCITING
• ABINIT
- a highly sophisticated open source pseudopotential plane wave code
• PWSCF
- another open source pseudopotential plane wave code
• Octopus
- a pseudopotential code specialising in time-dependent DFT
• Wien2k
- a powerful FP-LAPW code with a large user community
• FLEUR code
- another FP-LAPW code with emphasis on magnetism and surface
calculations