plan avg

Plan_avg.x Installation On A Debian, Ubuntu, Kali, Fedora And Raspbian

Plan_avg.x Installation On A Debian, Ubuntu, Kali, Fedora And Raspbian

plan_avg.x

Electronic-Structure and Ab-Initio Molecular Dynamics Suite

Maintainer: Debichem Team



Section: science

Install plan_avg.x

  • Debian apt-get install quantum-espresso Click to copy
  • Ubuntu apt-get install quantum-espresso Click to copy
  • Kali Linux apt-get install quantum-espresso Click to copy
  • Fedora dnf install quantum-espresso Click to copy
  • Raspbian apt-get install quantum-espresso Click to copy

quantum-espresso

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). 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

Installation of latest plan_avg.x command is available for Debian, Ubuntu, Kali, Fedora and Raspbian. You can copy the command for your OS from above and paste it into your terminal. Once you run the command it will download the 2023 latest package from the repository and install it in your computer/server.