quantum-espresso binary package in Ubuntu Trusty i386

 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

Publishing history

Date Status Target Pocket Component Section Priority Phased updates Version
  2013-12-17 21:48:31 UTC Published Ubuntu Trusty i386 release universe science Optional 5.0.2-5build1
  • Published
  • Copied from ubuntu trusty-proposed i386 in Primary Archive for Ubuntu
  Deleted Ubuntu Trusty i386 proposed universe science Optional 5.0.2-5build1
  • Removal requested .
  • Deleted by Ubuntu Archive Robot

    moved to release

  • Published
  2013-12-17 21:52:37 UTC Superseded Ubuntu Trusty i386 release universe science Optional 5.0.2-1
  • Removed from disk .
  • Removal requested .
  • Superseded by i386 build of espresso 5.0.2-5build1 in ubuntu trusty PROPOSED
  • Published
  • Copied from ubuntu trusty-proposed i386 in Primary Archive for Ubuntu
  2013-12-19 00:10:11 UTC Deleted Ubuntu Trusty i386 proposed universe science Optional 5.0.2-1
  • Removed from disk .
  • Removal requested .
  • Deleted by Ubuntu Archive Robot

    moved to release

  • Published
  2013-10-22 17:09:08 UTC Superseded Ubuntu Trusty i386 release universe science Optional 5.0-1
  • Removed from disk .
  • Removal requested .
  • Superseded by i386 build of espresso 5.0.2-1 in ubuntu trusty PROPOSED
  • Published
  • Copied from ubuntu quantal-release i386 in Primary Archive for Ubuntu