About

What Can Yambo Do?

Quasiparticle properties

  • GW self-energy in the Plasmon-Pole approximation;
  • Full real-axis GW;
  • Finite temperature electronic energies and lifetimes;
  • Electron-phonon corrections;
  • GW electron and phonon mediated self-energies;

Spectroscopic Properties:

  • Linear optical absorption;
  • Electron Energy Loss;
  • Kerr rotation;
  • Temperature dependent spectroscopic properties;
  • Real-Time dynamics: Time–dependent Screened Exchange;
  • Nonlinear optical properties;

Methods

  • Time-Dependent Density Functional Perturbation Theory;
  • Many-Body Perturbation Theory;
  • Separable norm-conserving pseudo-potentials
  • Supports many 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) via the libxc library.
  • Noncollinear magnetism, spin-orbit coupling.
  • Berry’s phase polarization;
  • Several available Coulomb interaction cutoff geometries;
  • Sum-over-states terminator;
  • Interpolation schemes;
  • Spectra and exciton wavefunctions via Krylov subspace methods;

Platforms & Libraries

Runs on many architectures and more are constantly added: from large parallel machines (IBM SP and BlueGene, Cray XT, Altix, Nec SX) to workstations (HP, IBM, SUN, Intel, AMD) and single PCs running Linux, Windows(?), Mac OS-X, including clusters of 32-bit or 64-bit Intel or AMD processors with various connectivity (gigabit ethernet, myrinet, infiniband…). Can use pre-compiled and optimized libraries (such as MKL for Intel CPUs, ACML for AMD CPUs, ESSL for IBM machines) already installed in the machine or, alternatively, download automatically all components and compile/link at the same time of the source.