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pomerol2dcore

An interface between Pomerol and DCore. pomerol2dcore supports general local Hamiltonians with one-body and two-body terms, h0_{ij} and U_{ijkl}. It offers an impurity solver based on full diagonalization for arbitrary temperatures.

Installation

NOTE: pomerol2dcore does not support the latest version of pomerol library. Please install pomerol 1.3 by checking out the commit 7a45b6a. This commit is 2 commits after the official release of version 1.3.

On pomerol repo:

  $ git checkout 7a45b6a

Then install pomerol library. Here is an example of the commands

  $ cmake -DCMAKE_BUILD_TYPE=Release\
    -DCMAKE_INSTALL_PREFIX=<path>\
    -DBOOSTROOT=<path>\
    -DPOMEROL_COMPLEX_MATRIX_ELEMENTS=ON\
    ../pomerol
  $ make
  $ make test
  $ make install

The option -DPOMEROL_COMPLEX_MATRIX_ELEMENTS=ON is necessary if you want to treat complex matrix elements.

On pomerol2dcore repo:

  $ cmake -DCMAKE_BUILD_TYPE=Release\
    -Dpomerol_DIR=<path_to_pomerol>/share/pomerol/\
    -DCMAKE_INSTALL_PREFIX=<install_directory>\
    ../pomerol2dcore
  $ make
  $ make install

An executable file pomerol2dcore is installed in <install_directory>/bin.

How to run

Copy files in sample directory, and execute by

  $ pomerol2dcore params.in

Using pomerol solver in DCore

In the parameter file of DCore, specify the impurity solver as follows:

  [impurity_solver]
  name = pomerol
  exec_path{str} = /install_directory/bin/pomerol2dcore
  n_bath{int} = 3
  fit_gtol{float} = 1e-6

The case n_bath{int} = 0 corresponds to the Hubbard-I approximation.