Running Green Weak Coupling

To perform weak-coupling simulations, one have to call mbpt.exe executable located at the installation path in the bin subdirectory. Minimal parameters that are needed to run weak-coupling simulations are following:

• --BETA inverse temperature
• --scf_type type of self-consistent approximation, should be either GW, GF2 or HF
• --grid_file path to a file containing non-uniform grids, program will check three possible locations:
  • current directory or absolute path
  • <installation directory>/share
  • build directory of weak-coupling code

Currently, we provide IR (ir subdirectory) and Chebyshev grids (cheb subdirectory) for nonuniform imaginary time representation. For more details on nonuniform grids, please follow this link

After successful completion, results are written to --results_file, which defaults to sim.h5. To get information about other parameters and their default values call mbpt.exe --help..

Band-path interpolation

If input data contains information about high-symmetry path, diagonal part of the Green’s function can be evaluated on provided high-symmetry path using $\mathbf{k}$-space interpolation, and results will be stored in the G_tau_hs group in the high-symmetry output file (by default set to output_hs.h5). To run band-path interpolation option --jobs has to be set to WINTER. WINTER also requires matching /high_symm_path data in input.h5 and an existing --results_file checkpoint from an earlier SC run or an earlier ordered SC job; it interpolates the checkpoint selected by /iter.