Questaal Home
Navigation

Load QSGW hamilotonian in python notebook

Introduction :

This is an quick advanced tutorial to load the QSGW hamiltonian in a python notebook

Generate Hamiltonian

In this tutorial, we use the qsgw calculation of YBa2CuO4 which can be found in the test directory :

cp path_to_lm_directory/dmft/test/ybco/* .

The first step is to generate the projector using lmfdmft :

lmfdmft ybco --ldadc~fn=dc -vnkabc=3 --job=1 --stop=proj

Compute

Then, the projector and the energy dispersion can be loaded with a python script. A python notebook to load and compute is provided Here.

Questions or Comments


If this page has any errors, there is something you think is missing or unclear, or for any other issues, you can create a post here letting us know.