aeantipov / ct-qmc Goto Github PK

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

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Notes
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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.