3.3.1

DCore version 3.3.1 is released !

Note: The release page for version 3.3.0 has been removed due to an incorrect tag attached.

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

New features

• Multiple input files are allowed.
• [system] dc_orbital_average parameter is introduced.
• [tool] post_dir parameter is introduced.
• dcore_check generates a new figure (iteration vs total charge).

Improvements

• Improved error messages.
• Improved performance of dcore_check.
• Improved performance in G2 calc.
• Enabled MPI data transfer of large size array (>2GB).

Bug fixes

• Fixed a bug in pomerol interface when n_bath>0 and spin_orbit=True.
• Fixed a bug in dcore_bse when spin_orbit=True.
• Fixed a bug around G2 calc.
• minor bugfixes

Further information

• Documentation: https://issp-center-dev.github.io/DCore/index.html
• Known issues: https://github.com/issp-center-dev/DCore/issues