DFT+DMFT Tutorial

Welcome to the DFT+DMFT Tutorial. This is our schedule for today:

  1. Prerequisites
  2. Standard DFT
  3. The interface
  4. DFT+DMFT in CTQMC
  5. DFT+DMFT in ED
  6. Charge self-consistent DFT+DMFT in ED
DFT+DMFT flowchart

You can download the slides of the accompanying method slides here

During the tutorial you can simply copy all needed input files from the cluster. You can also download all input files here:

The archive does not include the POTCAR file for the VASP calculation. Please include your own. We used PAW_PBE Ni 06Sep2000 and PAW_PBE O 08Apr2002.