Navigation
- About
- News
- Functionality
- Documentation
- Tutorials
- Tutorial Index
- Overview
- Generating Input Files
- DFT
- Basic Introduction: Si
- Detailed Introduction: Lead Telluride
- Band Plotting
- Partial Densities-of-States and EELS
- Generating a Fermi Surface
- Extremal Points and Effective Mass
- Molecular Statics in Se
- Shear modulus, specific heat in Al
- Detailed Introduction: The input file
- lmf Basis Set and Convergence
- Adding Augmented Plane Waves
- Basis Set Optimisation
- GW
- QSGW + DMFT
- Introduction
- Setting up the DMFT loop
- Running the DMFT loop
- Issues with input and parameters
- Charge + static-magnetic contributions
- The density loop
- The maximum entropy method
- The self-energy loop and the dynamical double-counting
- Analyzing spectral functions
- Load QSGW Hamiltoninan in python notebook
- Tight Binding
- DFT-ASA
- ASA Crystal Green functions
- ASA Layer Green functions
- Physical Application
- Miscellaneous
- Workshop
We are pleased to announce the 3rd Daresbury Questaal school. It will take place 13-17 May 2019, at Daresbury Laboratory, UK. This is an opportunity for researchers to learn about advanced electronic structure and gain hands-on experience with Questaal's DFT/QSGW/BSE/DMFT functionality. The event is free to attend and local accommodation will be provided.