Features
The main features of the core components (i.e., quantum impurity solvers) of the iQIST software package are as follows:
- Model
- Measurement tricks
- Observables
- Single-particle Green's function in imaginary time space
- Single-particle Green's function in matsubara frequency space
- Two-particle correlation function in matsubara frequency space (experimental)[08]
- Local irreducible vertex function in matsubara frequency space (experimental)[09]
- Pair susceptibility in matsubara frequency space (experimental)[10]
- Self-energy function in matsubara frequency space
- Histogram of perturbation expansion order
- Kurtosis and skewness of perturbation expansion order
- Kinetic and potential energies
- Orbital occupation numbers[11]
- Double occupation numbers[12]
- Magnetic moment
- Atomic state probability
- Spin-spin correlation function in imaginary time space[13]
- Spin-spin correlation function in matsubara frequency space[13]
- Orbital-orbital correlation function in imaginary time space[14]
- Orbital-orbital correlation function in matsubara frequency space[14]
- Fidelity susceptibility[15]
- Kinetic energy fluctuation $\langle k^2\rangle - \langle k\rangle^2 - \langle k\rangle$[16]
- Fast algorithms
- Parallelism
- MPI
- OpenMP[24]
- API
- Python binding
- Input file generator by Python
- Fortran binding
- Preprocessing
- Atomic eigenvalue problem solver[25]
- Postprocessing
- 01Only for the BEGONIA, LAVENDER, CAMELLIA, PANSY, and MANJUSHAKA.
- 02Only for the BEGONIA, LAVENDER, PANSY, and MANJUSHAKA.
- 03Only for the NARCISSUS.
- 04Only for the NARCISSUS.
- 05Only for the GARDENIA, NARCISSUS, LAVENDER, CAMELLIA, and MANJUSHAKA.
- 06Only for the GARDENIA, NARCISSUS, LAVENDER, CAMELLIA, and MANJUSHAKA.
- 07Only for the GARDENIA and NARCISSUS.
- 08Only for the GARDENIA, NARCISSUS, LAVENDER, CAMELLIA, and MANJUSHAKA.
- 09Only for the GARDENIA, NARCISSUS, LAVENDER, CAMELLIA, and MANJUSHAKA.
- 10Only for the GARDENIA, NARCISSUS, LAVENDER, CAMELLIA, and MANJUSHAKA.
- 11Only for the AZALEA, GARDENIA, and NARCISSUS.
- 12Only for the AZALEA, GARDENIA, and NARCISSUS.
- 13Only for the GARDENIA and NARCISSUS.
- 14Only for the GARDENIA and NARCISSUS.
- 15Only for the GARDENIA, NARCISSUS, LAVENDER, CAMELLIA, and MANJUSHAKA.
- 16Only for the GARDENIA, NARCISSUS, LAVENDER, CAMELLIA, and MANJUSHAKA.
- 17Only for the AZALEA, GARDENIA, and NARCISSUS.
- 18Only for the BEGONIA, LAVENDER, PANSY, and MANJUSHAKA.
- 19Only for the BEGONIA, LAVENDER, and CAMELLIA.
- 20Only for the PANSY and MANJUSHAKA.
- 21Only for the MANJUSHAKA.
- 22Only for the MANJUSHAKA.
- 23Only for the CAMELLIA.
- 24Only for the measurement of two-particle quantities.
- 25Only for the JASMINE.
- 26Only for the HIBISCUS.
- 27Only for the HIBISCUS.
- 28Only for the HIBISCUS.
- 29Only for the HIBISCUS.
- 30Only for the HIBISCUS.