iQIST
  • Home
  • Team
  • Copyright
  • Dedication
  • Introduction
    • README
    • What's iQIST?
    • Motivation
    • Components
    • Features
    • Software architecture
    • Policy
  • Installation
    • README
    • Obtain
    • Uncompress
    • Directory structures
    • Compiling environment
    • Compiling system
    • Build iQIST at one step
      • README
      • Build base library
      • Build application programming interfaces
      • Build quantum impurity solvers
      • Build applications
      • Build atomic eigenvalue problem solver
      • Build auxiliary tools
      • Build libraries for Fortran
      • Build modules for Python
  • Getting started
    • README
    • Configure your system
    • iQIST recipes
    • Prepare input files
    • Execute the codes
    • Monitor the codes
    • Profile the codes
  • Quantum Monte Carlo impurity solvers
    • README
    • How to choose suitable quantum impurity solvers?
      • README
      • solver.ctqmc.in
      • solver.hfqmc.in
      • solver.umat.in
      • solver.eimp.in
      • solver.anydos.in
      • solver.ktau.in
      • atom.cix
      • README
      • Terminal output
      • solver.green.dat
      • solver.weiss.dat
      • solver.hybri.dat
      • solver.grn.dat
      • solver.wss.dat
      • solver.hyb.dat
      • solver.sgm.dat
      • solver.hub.dat
      • solver.hist.dat
      • solver.prob.dat
      • solver.nmat.dat
      • solver.kmat.dat
      • solver.lmat.dat
      • solver.schi.dat
      • solver.sfom.dat
      • solver.ochi.dat
      • solver.ofom.dat
      • solver.twop.dat
      • solver.vrtx.dat
      • solver.pair.dat
      • solver.diag.dat
      • solver.kernel.dat
      • solver.status.dat
      • README
      • isscf
      • issun
      • isspn
      • isbin
      • isort
      • issus
      • isvrt
      • isscr
      • ifast
      • itrun
      • nband
      • nspin
      • norbs
      • ncfgs
      • nzero
      • niter
      • lemax
      • legrd
      • chmax
      • chgrd
      • mkink
      • mstep
      • mfreq
      • nffrq
      • nbfrq
      • nfreq
      • nsing
      • ntime
      • nvect
      • nleja
      • npart
      • nflip
      • ntherm
      • nsweep
      • nwrite
      • nclean
      • nmonte
      • ncarlo
      • U
      • Uc
      • Uv
      • Jz
      • Js
      • Jp
      • lc
      • wc
      • mune
      • beta
      • part
      • alpha
  • Applications
    • README
    • DFT + DMFT
    • Ladder dual fermions
  • Atomic eigenvalue problem solver
    • README
      • README
      • atom.config.in
      • atom.cmat.in
      • atom.emat.in
      • atom.tmat.in
      • README
      • Terminal output
      • solver.umat.in
      • atom.fock.dat
      • atom.tmat.dat
      • atom.emat.dat
      • atom.umat.dat
      • atom.eigval.dat
      • atom.eigvec.dat
      • atom.sector.dat
      • atom.cix
      • README
      • ibasis
      • ictqmc
      • icu
      • icf
      • isoc
      • nband
      • nspin
      • norbs
      • ncfgs
      • nmini
      • nmaxi
      • Uc
      • Uv
      • Jz
      • Js
      • Jp
      • Ud
      • Jh
      • mune
      • lambda
  • Auxiliary tools
    • README
    • Maximum entropy method
    • Stochastic analytical continuation
    • Analytical continuation for self-energy
      • README
      • toolbox/makechi
      • toolbox/makedos
      • toolbox/makekra
      • toolbox/makescr
      • toolbox/makesig
      • toolbox/makestd
      • toolbox/maketau
      • toolbox/makeups
      • README
      • script/d_archive.sh
      • script/d_check.py
      • script/d_clean.py
      • script/d_cmp.py
      • script/d_sar.sh
      • script/d_trailing.sh
      • script/u_animator.py
      • script/u_atomic.py
      • script/u_ctqmc.py
      • script/u_hfqmc.py
      • script/u_reader.py
      • script/u_writer.py
  • iQIST in action
    • README
      • README
      • Hello iQIST!
      • Mott metal-insulator transition
      • README
      • General Coulomb interaction
      • Spin-orbital coupling
      • Crystal field splitting
      • Retarded interaction and dynamical screening effect
      • README
      • One-shot and self-consistent calculations
      • Data binning mode
      • Imaginary-time Green's function
      • Matsubara Green's function and self-energy function
      • Spin-spin correlation function and orbital-orbital correlation function
      • Two-particle Green's function and vertex function
      • README
      • Analytical continuation for imaginary-time Green's function
      • Analytical continuation for Matsubara self-energy function
      • README
      • Orbital-selective Mott transition in two-band Hubbard model
      • Orbital Kondo and spin Kondo effects in three-band Anderson impurity model
    • Code validation
    • Successful stories
  • Inside iQIST
    • README
      • README
      • Quantum impurity model
      • Principles of continuous-time quantum Monte Carlo algorithm
      • Hybridization expansion
      • README
      • Transition probability
      • Hubbard-Holstein model
      • Dynamical screening effect
      • Physical observable
      • Orthogonal polynomial representation
      • Kernel polynomial method
      • Improved estimator for the self-energy function
      • Fast matrix update
      • Good quantum number, subspace, and symmetry
      • Krylov subspace iteration
      • Newton-Leja polynomial interpolation
      • Truncation approximation
      • Lazy trace evaluation
      • Skip listing algorithm
      • Divide-and-conquer algorithm
      • Sparse matrix tricks
      • Delayed update algorithm
      • Atomic eigenvalue solver
      • Single particle basis
      • Spin-orbit coupling
      • Coulomb interaction matrix
      • Maximum entropy method
      • Stochastic analytical continuation
      • README
      • Development platform
      • Common service module library
      • Common service subroutine library
      • Fast Fourier transformation
      • Interpolation
      • Random number generators
      • Parallelization
      • A guide to the source codes of the CT-HYB components
      • How to add new parameter?
      • How to add new observable?
  • Appendix
  • Glossary
Version
  • Inside iQIST
  • Codes
  • How to add new observable?
  • How to add new observable?
Edit on GitHub
« How to add new parameter?Appendix »

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