How to Install and Uninstall quantum-espresso Package on Kali Linux

Last updated: May 07,2024

1. Install "quantum-espresso" package

This is a short guide on how to install quantum-espresso on Kali Linux


    
        
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                sudo apt update
            
                    
    
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            $
        

        
            
                sudo apt install
            
                        
                quantum-espresso
            
                    
    
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2. Uninstall "quantum-espresso" package

Please follow the steps below to uninstall quantum-espresso on Kali Linux:


    
        
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                sudo apt remove
            
                        
                quantum-espresso
            
                    
    
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            $
        

        
            
                sudo apt autoclean && sudo apt autoremove
            
                    
    
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3. Information about the quantum-espresso package on Kali Linux

Package: quantum-espresso
Source: espresso (6.7-2)
Version: 6.7-2+b1
Installed-Size: 280367
Maintainer: Debichem Team
Architecture: amd64
Depends: libblas3 | libblas.so.3, libc6 (>= 2.33), libfftw3-double3 (>= 3.3.5), libgcc-s1 (>= 4.0), libgfortran5 (>= 10), liblapack3 | liblapack.so.3, libopenmpi3 (>= 4.1.2), libscalapack-openmpi2.2 (>= 2.2.1)
Recommends: quantum-espresso-data
Size: 47638100
SHA256: 368d8a8caafa07d184948f2eb8ba9b4becc324c2d3f7df64557ab81df384a8d5
SHA1: 89ac350ec53c9a2d75acd8bd97085584ba1c9260
MD5sum: 5db8907cb84ce86c8f968b5a4ec4a0b1
Description: Electronic-Structure and Ab-Initio Molecular Dynamics Suite
Quantum ESPRESSO (formerly known as PWscf) is an integrated suite of computer
codes for electronic-structure calculations and materials modeling at the
nanoscale. It is based on density-functional theory, plane waves, and
pseudopotentials (both norm-conserving, ultrasoft, and PAW).
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Features include:
* Ground-state single-point and band structure calculations using plane-wave
self-consistent total energies, forces and stresses
* Separable norm-conserving and ultrasoft (Vanderbilt) pseudo-potentials, PAW
(Projector Augmented Waves)
* Various exchange-correlation functionals, from LDA to generalized-gradient
corrections (PW91, PBE, B88-P86, BLYP) to meta-GGA, exact exchange (HF) and
hybrid functionals (PBE0, B3LYP, HSE)
* Car-Parrinello and Born-Oppenheimer Molecular Dynamics
* Structural Optimization including transition states and minimum energy
paths
* Spin-orbit coupling and noncollinear magnetism
* Response properties including phonon frequencies and
eigenvectors, effective charges and dielectric tensors, Infrared and
Raman cross-sections, EPR and NMR chemical shifts
* Spectroscopic properties like K- and L1-edge X-ray Absorption Spectra (XAS)
and electronic excitations
Description-md5:
Homepage: http://www.quantum-espresso.org/
Tag: role::program
Section: science
Priority: optional
Filename: pool/main/e/espresso/quantum-espresso_6.7-2+b1_amd64.deb