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Components

The iQIST software package is much more complex and powerful than what you can imagine. It contains several components which can be used to solve different impurity problems, prepare the input files, post-process the calculated results, etc.

mindmap image

Figure | Schematic picture for the iQIST's components. Components on the LHS are all CT-HYB solvers, JASMINE is the atomic eigenvalue solver, DAISY is a HF-QMC solver, and HIBISCUS contains other pre-processing and post-processing tools.

According to their abilities and functions, the components of the iQIST software package can be classified into the following catalogues:

Continuous-time quantum Monte Carlo impurity solvers (segment representation version)

  • AZALEA component
  • GARDENIA component
  • NARCISSUS component

For the details of these quantum impurity solvers, please see the chapter Quantum Monte Carlo impurity solvers.

Continuous-time quantum Monte Carlo impurity solvers (general matrix version)

  • BEGONIA component
  • LAVENDER component
  • CAMELLIA component (not ready)
  • MANJUSHAKA component (unstable)
  • PANSY component (unstable)

For the details of these quantum impurity solvers, please see the chapter Quantum Monte Carlo impurity solvers.

Hirsch-Fye quantum Monte Carlo impurity solver

  • DAISY component

For the details of these quantum impurity solvers, please see the chapter Quantum Monte Carlo impurity solvers.

Auxiliary tools

  • HIBISCUS component
  • JASMINE component

For the details of these tools, please see the chapters Atomic eigenvalue problem solver and Auxiliary tools.

Applications

  • SAKURA component (DFT + DMFT code, not ready)
  • ROSEMARY component (ladder dual fermions code, not ready)

For the details of these applications, please see the chapter Applications.

Miscellanies

Besides the above components, the iQIST software package also includes many useful and interesting things, such as:

  • The Reference Manual (It is me!)
  • Application Programming Interfaces (Fortran and Python versions)
  • Common Service Modules Library (CSML)
  • Common Service Subroutines Library (CSSL)
  • Tutorials and Examples
Note

In the Common Service Modules Library and Common Service Subroutines Library, we implement the numerical infrastructures for the iQIST software package. They can be reused in the other scientific computation projects.