/tag/phys

  • BerkeleyGW on Rivanna

    Description The BerkeleyGW Package is a set of computer codes that calculates the quasiparticle properties and the optical responses of a large variety of materials from bulk periodic crystals to nanostructures such as slabs, wires and molecules. Local support is not available. For detailed documentation and tutorials, visit the BerkeleyGW website. The user forum can be found here. Software Category: phys Available Versions To find the available versions and learn how to load them, run: module spider berkeleygw The output of the command shows the available BerkeleyGW module versions. For detailed information about a particular BerkeleyGW module, including how to load the module, run the module spider command with the module’s full version label.
  • Yambo on Rivanna

    Description YAMBO implements Many-Body Perturbation Theory (MBPT) methods (such as GW and BSE) and Time-Dependent Density Functional Theory (TDDFT), which allows for accurate prediction of fundamental properties as band gaps of semiconductors, band alignments, defect quasi-particle energies, optics and out-of-equilibrium properties of materials. Local support is not available. For detailed documentation and tutorials, visit the Yambo website. The user forum can be found here. Software Category: phys Available Versions To find the available versions and learn how to load them, run: module spider yambo The output of the command shows the available Yambo module versions. For detailed information about a particular Yambo module, including how to load the module, run the module spider command with the module’s full version label.