Prepare input files

There are two ways to generate the necessary inpute files for the quantum impurity solvers in the iQIST software package.

Method 1:

One is to prepare the input files manually.

Usually, the necessary input file is solver.ctqmc.in. It is an ascii text file actually. You can use any text editor to create and edit it in principle. As for the file format of solver.ctqmc.in, please read:

• solver.ctqmc.in // Configuration file for CT-QMC impurity solvers.
• solver.hfqmc.in // Configuration file for HF-QMC impurity solvers.

Besides the solver.ctqmc.in file, some quantum impurity solvers also require the atom.cix file as input. You can use the JASMINE component to generate it. The necessary input file for the JASMINE component is atom.config.in. For more details about it, please read:

• atom.config.in // Configuration file for the JASMINE component.

Method 2:

Another approach is to use the u_ctqmc.py, u_hfqmc.py, and u_atomic.py to generate solver.ctqmc.in, solver.hfqmc.in, and atom.config.in files, respectively. In this approach, you have to write some python scripts. Don't worry about it. It is a trivial task. Please see

• Scripts // HIBISCUS/scripts codes.

for more details.

As for the other input files not mentioned here, please try to generate them by yourself. The detailed format descriptions can be seen in the following sections:

• Standard input files // Input stuffs for CT-HYB/HF-QMC impurity solvers.
• Standard input files // Input stuffs for atomic eigenvalue problem solver.