quantum-espresso/EPW/irobjs
Sabyasachi Tiwari 596a99433f EPWv5.9 2024-09-15 16:41:41 +00:00
..
Makefile EPWv5.9 2024-09-15 16:41:41 +00:00
README.md EPWv5.9 2024-09-15 16:41:41 +00:00
ir_nlambda5_ndigit6.dat EPWv5.9 2024-09-15 16:41:41 +00:00

README.md

How to Install IR Object Files

To use sparse-ir sampling for anisotropic Migdal-Eliashberg calculations, set the input value gridsamp to 2 and specify the file containing the IR functions in filirobj.

By running the following command in this directory, you can download several files that contain precomputed IR functions:

make irobjs

The files are organized by the parameters Λ and ε, so make sure to set the corresponding file in filirobj according to the parameters you intend to use.

If you want to modify the parameters and calculate the IR functions yourself, you will need to install the sparse-ir Python package. After installation, you can run the following command:

python dump.py 1e+4 1e-10 ir_nlambda4_ndigit10.dat

For more details, please refer to the sparse-ir-fortran GitHub repository.