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Codes

Fiesta

Fiesta Code Fiesta is an efficient implementation of the GW and Bethe-Salpeter formalisms in localized basis-set. Fiesta adopts a recently developed auxiliary Gaussian-basis approach with contour-deformation techniques.


Yambo

Yambo Code Yambo is an open source Many-body theory software package for study solids and molecular systems. It calculates the excited state properties of physical systems from first principles. With Yambo one can calculate: 1) Quasiparticle energies wtih plasmon pole, COHSEX approximation or real-axis; 2) Optical absorption, RPA, Bethe Salpeter with or without Tamm-Dancoff Approximation; 3) Electron energy loss spectroscopy; 4) Dynamical polarizability

DP

Dp CodeDP is an ab initio linear-response TDDFT code working in reciprocal k-space and frequency ω-domain on a plane waves basis set. Its purpose is to calculate optical and dielectric spectroscopy, such as

  • Optical Absorption, Refraction Indices, Reflectivity;
  • EELS, IXSS (Inelastic X-ray Scattering Spectroscopy), CIXS.

Systems range from bulk to surfaces, wires/tubes, clusters and molecules (using supercells), made of insulator and metal elements. It implements the RPA and TDLDA approximations, but also non-local and ultra non-local kernels up to Bethe-Salpeter derived kernels. Including and neglecting local-field effects.

Exc

Exc Code EXC is an ab initio linear-response Bethe-Salpeter Equation code working both in transition space and also in reciprocal k-space and frequency ω-domain on a plane waves basis set. Its purpose is to calculate optical and dielectric spectroscopy, such as optical absorption, refraction indices, reflectivity, EELS. Systems range from bulk to surfaces, wires/tubes, clusters and molecules (using supercells), made of insulator and metal elements. Full coupling (beyond the Tamm-Dancoff approximation) and local-field effects can be switched on and off.