A tool for performing quantum many-body simulations based on dynamical mean-field theory. In addition to predefined models, one can construct and solve an ab-initio tight-binding model by using wannier 90 or RESPACK. We provide a post-processing tool for computing physical quantities such as the density of state and the momentum resolved spectral function. DCore depends on external libraries such as TRIQS and ALPSCore.

## Homepage

MateriApps: https://ma.issp.u-tokyo.ac.jp/en/app/1004

3.3.1 (2022/2/1)

## How to use DCore on the ISSP supercomputer

• The directory where DCore is installed.

/home/issp/materiapps/dcore/

• The directory where the execution file of DCore is installed.

/home/issp/materiapps/dcore-3.3.1-1/bin/

In this folder, dcore, dcore_check, dcore_post, dcore_pre are located.

(*) This binary was built using MPT. If you are using intelMPI instead of the default (MPT) setting, you need to switch to MPT with the module command. For more information on build options, please refer to

$less /home/issp/materiapps/dcore/dcore-2.0.2-1.log . • The directory where sample scripts and input files are stored. Sample scripts： /home/issp/materiapps/triqs/sample_jobscript/dcore.sh Input files：/home/issp/materiapps/dcore/dcore-2.0.2-1/examples • How to run DCore (ex. Calculation of self-energy for single-band 2D Hubbard model) 1. Preparing the computing environments $ source /home/issp/materiapps/dcore/dcorevars.sh

This will pass the PATH to the binary files of the latest version of Core. It also stores the path to the DCore installation directory in the environment variable DCORE_ROOT.

2. Preparing  input files
$cp -rf /home/issp/materiapps/dcore/dcore-2.0.2-1/examples/square . 3. Submitting job A sample script is available in /home/issp/materiapps/triqs/sample_jobscript/. Copy the script to the current folder and submit the job. $ cd square && cp /home/issp/materiapps/triqs/sample_jobscript/dcore.sh .
\$ qsub dcore.sh
4.  Check the results

The result is output in square.out.h5. The calculation results can be checked with dcore_check and dcore_pre.