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COMSUITE

A computational materials physics code for simulating strongly correlated materials using Dynamic Mean Field Theory (DMFT) and its extension.

The repository contains a collection of relevant pieces including the source code, examples, as well as a number of tools.

The repository contains the following directories:

  • bin -- executable binaries and scripts
  • ComCTQMC -- ctqmc solver
  • ComCoulomb -- bosonic Weiss Field within constrained random phase approximation
  • ComDC -- double counted self-energy within local GW
  • ComLowH -- to construct low-energy Hamiltonian and to calculate Delta
  • ComWann -- Wannier function constructions
  • ComRISB -- gutzwiller solver and interface to ComWann and FlapwMBPT
  • tutorials -- tutorials
  • gw -- FlapwMBPT(https://www.bnl.gov/cmpmsd/flapwmbpt/)
  • wannier90-2.1.0 - the most recent version of Wannier90.

To install this package, modify arch.mk and "make"

comsuite

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