GitHub - aeantipov/ct-qmc: Obsolete interaction-expansion QMC code for solving the Anderson impurity model

aeantipov / ct-qmc Public

Notifications You must be signed in to change notification settings
Fork 0
Star 1

Obsolete interaction-expansion QMC code for solving the Anderson impurity model

Notifications

Name		Name	Last commit message	Last commit date
Latest commit History 4 Commits
2+3		2+3
kondo		kondo
src		src
2PGF.cpp		2PGF.cpp
Gt.cpp		Gt.cpp
Matrix.cpp		Matrix.cpp
MeasuredData.h		MeasuredData.h
README		README
change.cpp		change.cpp
chi.cpp		chi.cpp
chi6.cpp		chi6.cpp
chi60.cpp		chi60.cpp
cluster.cpp		cluster.cpp
config.h		config.h
default.h		default.h
g_recalc.cpp		g_recalc.cpp
headers.cpp		headers.cpp
import.cpp		import.cpp
ini.cpp		ini.cpp
input.cpp		input.cpp
keep_state.cpp		keep_state.cpp
main.cpp		main.cpp
main_mpi.cpp		main_mpi.cpp
math_lib.cpp		math_lib.cpp
minictqmcworld.cpp		minictqmcworld.cpp
minictqmcworld.h		minictqmcworld.h
moves.cpp		moves.cpp
nn.cpp		nn.cpp
sampling.cpp		sampling.cpp
scratch.cpp		scratch.cpp
tell.cpp		tell.cpp
wt.cpp		wt.cpp
wt_bose.cpp		wt_bose.cpp

Repository files navigation

=========================================================
The instructions to compile and build this ct-qmc project
=========================================================

1. This code doesn't rely on any external libraries except for MPI in case needed.
2. The description of impurity problem is in DIR/ct-qmc.cpp, where DIR stands for an arbitatrary directory. Two predefined examples are provided : 
  -- src - for single-orbital cluster calcs,
  -- 2+3 - for a multiorbital(2 or 3 band) single atom impurity
  -- kondo - for a kondo J interaction
3. To build a proper version of ct-qmc code, go to DIR, copy Makefile.example to Makefile and patch it accordingly. The most important thing is to provide -I flag to this directory.
The PART flag corresponds to number of particles for a given cluster (for multiorbital case - to the number of bands), while ZONE flag corresponds to number of zones, generally spin zones.
4. A single-cpu version of code is then built by 'make ct-qmc', whilst the mpi version is built by 'make ct-qmc-mpi' or simply make with no arguments.

5. An example of input file to this code is provided as _input.dat in subdirectories. A hybridization function should be provided in Matsubara frequencies as a file 'Delta.dat' with first 2*PART(real and imaginary part) columns for a first zone, then for the second and so ZONE times. Its syntax is the same, as in output Gw_complete.dat file except for the absence of first column with matsubara number.

=========================================================
Notes
=========================================================
This version of code supports MPI Green's function calculation. There is no implementation for MPI vertex calculation.
The major development of this code is stopped. Therefore it is provided AS-IS with no kind of support. 
Feel free to use it for any purposes.