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@k-yoshimi k-yoshimi released this 03 Sep 05:34
· 644 commits to master since this release
v2.0.0
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DCore version 2.0.0 is released !

DCore is a DMFT (Dynamical Mean Field Theory) program package based on TRIQS, ALPSCore with interfaces to some first-principles program packages such as VASP, Quantum ESPRESSO, OpenMX.

Release note

To install DCore, please download the source files from Github. For more details, please see the installation guide.

New features

  • Added new solvers: ALPS/cthyb-seg, pomerol, and null (for non-interacting limit).
  • Introduced an initial guess for the self-energy.
  • Introduced local potential (e.g., magnetic field).
  • Introduced an initial magnetic moment (for magnetic solution).
  • Improved how to check convergence (dcore_check).
  • Implemented equivalent shells.

Changes

  • [important] Changed how to run MPI.
  • Introduced [MPI] block in input parameters to specify a MPI command.
  • Introduced a parameter T in [system] block to specify beta=1/T.
  • Moved the parameter nk, nk0, nk1, nk2 to [model] section.
  • Output data structure improved (data are output in a separated directory).
  • Added more examples in the directory "examples"

Further information

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