How to Install and Uninstall elk-lapw Package on Ubuntu 20.10 (Groovy Gorilla)

Last updated: December 29,2024

1. Install "elk-lapw" package

Here is a brief guide to show you how to install elk-lapw on Ubuntu 20.10 (Groovy Gorilla)


    
        
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                sudo apt update
            
                    
    
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            $
        

        
            
                sudo apt install
            
                        
                elk-lapw
            
                    
    
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2. Uninstall "elk-lapw" package

This is a short guide on how to uninstall elk-lapw on Ubuntu 20.10 (Groovy Gorilla):


    
        
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                sudo apt remove
            
                        
                elk-lapw
            
                    
    
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            $
        

        
            
                sudo apt autoclean && sudo apt autoremove
            
                    
    
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3. Information about the elk-lapw package on Ubuntu 20.10 (Groovy Gorilla)

Package: elk-lapw
Architecture: amd64
Version: 6.3.2-1
Priority: optional
Section: universe/science
Source: elkcode
Origin: Ubuntu
Maintainer: Ubuntu Developers
Original-Maintainer: Debichem Team
Bugs: https://bugs.launchpad.net/ubuntu/+filebug
Installed-Size: 6698
Depends: libblas3 | libblas.so.3, libc6 (>= 2.29), libfftw3-double3 (>= 3.3.5), libgcc-s1 (>= 4.0), libgfortran5 (>= 8), libgomp1 (>= 4.9), liblapack3 | liblapack.so.3, libopenmpi3 (>= 4.0.2), libxc5 (>= 4.2.1), mpi-default-bin
Suggests: gnuplot, xcrysden
Filename: pool/universe/e/elkcode/elk-lapw_6.3.2-1_amd64.deb
Size: 4016244
MD5sum: 747664ade05f612be32e14878ac9e1ec
SHA1: 84ee1dcd63beec3b1a746aa3da4eeaca0a84baf0
SHA256: 99a40bb4a924b6b719b2d86925b68b41caec5ea5cbe6e5f52249051c1eba6c5e
SHA512: f9705392cb7488aa1c6daf1b9abfc9e132f90bc1bb06468c094642e037da25eaedee4c583a655495aaac70c4c7e5e399fa583700bff50b8d1d7da3c56b9a6071
Homepage: http://elk.sourceforge.net
Description-en: All-Electron Density-Functional Electronic Structure Code
Elk is an all-electron full-potential linearised augmented-plane wave
(FP-LAPW) code. By not including pseudo-potentials, Elk can provide very
reliable high-precision results and works for every chemical element. Features
include:
.
* FP-LAPW basis with local-orbitals
* APW radial derivative matching to arbitrary orders at muffin-tin surface
(super-LAPW, etc.)
* Arbitrary number of local-orbitals allowed (all core states can be made
valence for example)
* Total energies resolved into components
* Forces - including incomplete basis set (IBS) and core corrections work
with spin-orbit coupling, non-collinear magnetism and LDA+U
* LSDA, GGA and (potential-only) meta-GGA functionals available
* LDA+U: fully localised limit (FLL), around mean field (AFM) and
interpolation between the two; works with SOC, NCM and spin-spirals
* Isolated molecules or periodic systems
* Core states treated with the radial Dirac equation
* Spin-orbit coupling (SOC) included in second-variational scheme
* Non-collinear magnetism (NCM) with arbitrary on-site magnetic fields
* Fixed spin-moment calculations (with SOC and NCM)
* Time-dependent density functional theory (TDDFT) for linear optical
response calculations
* First-order optical response
* Non-linear optical (NLO) second harmonic generation
.
Elk is parallelized via hybrid OpenMP/OpenMPI.
Description-md5: 0bc9af3e9d9d6f44cbf4af13b824aec1