Table of Contents
This is an old revision of the document!
Program
Our workshop in Heidelberg will be from Monday morning the 10th of October 2022 to Friday the 14th at lunch time. The program includes alternating theory sessions with lectures and hands-on tutorials. We expect participants to arrive on Sunday evening (or Monday morning early) and leave on Friday.
| ------------------ | Sunday 9-10-2022 --------------------------- | Monday 10-10-2022 --------------------------------- | Tuesday 11-10-2022 --------------------------------- | Wednesday 12-10-2022 --------------------------------- | Thursday 13-10-2022 --------------------------------- | Friday 14-10-2022 --------------------------------- |
|---|---|---|---|---|---|---|
| 9:00 - 10:30 | Lecture F. de Groot Introduction to core level spectroscopy and theoretical models. Background literature Literature1 Powerpoints PPT1 | Lecture F. de Groot Introduction to core level spectroscopy and theoretical models. Background literature Literature3 Powerpoints PPT3 Codes Codes3 | Lecture H. Elnaggar Polarization and dichroism Powerpoints PPT5 | Lecture A. Juhin Density functional theory and K-edges Powerpoints PPT7 | Lecture M. W. Haverkort Line widths and lifetimes Fluorescence decay, Auger decay and band-width Powerpoints PPT9 |
|
| 10:30 - 11:00 | Coffee | Coffee | Coffee | Coffee | Coffee | |
| 11:00 - 12:30 | Hands-on tutorials Tutorial1 Background literature Lua Reference Manual Powerpoints PPT1 Tutorials Tutorials1 | Hands-on tutorials Tutorial3 Powerpoints PPT3 Tutorials Tutorials3 | Hands-on tutorials Tutorials5 Documentation Documentation5 Tutorials Tutorials5 | Hands-on tutorials Tutorials7 Background literature Literature7 Powerpoints PPT7 Tutorials Tutorials7 | Hands-on tutorials Tutorial9 tutorials Tutorials9 |
|
| 12:30 - 13:30 | Lunch | Lunch | Lunch | Lunch | Lunch | |
| 13:30 - 15:00 | Lecture M.-A. Arrio Crystal-field theory and multiplets Background literature Literature2 Powerpoints PPT2 | Lecture M. Retegan Calculations using Crispy, a graphical interface Codes Codes4 Powerpoints PPT4 | Lecture F. de Groot Resonant inelastic x-ray scattering Powerpoints PPT6 | Lecture M. W. Haverkort Ab initio many-body techniques Powerpoints PPT8 | Departure | |
| 15:00 - 15:30 | Coffee | Coffee | Coffee | Coffee | ||
| 15:30 - 17:00 | Hands-on tutorials Crystal-field theory: Ground-state calculations including Energy level diagram, finite temperature, magnetic susceptibility. Spectroscopy calculations including cPES, XAS, nIXS and RIXS (Tutorial continues on Tuesday.) Background literature Introduction to ligand field theory by Carl J. Ballhausen powerpoints different types of spectroscopy talk 1 different types of spectroscopy talk 2 tutorials tutorials ground-state and spectroscopy calculations using crystal field theory | Hands-on tutorials Calculations using Crispy Tutorials continuation from the session before the coffee brake | Hands-on tutorials From DFT to MLFT powerpoints From DFT to MLFT tutorials LDA+MLFT for NiO and CrF4 tutorial including the DFT results - you do not need FPLO to run these | Hands-on tutorials Double cluster and Anderson impurity models tutorials tutorial on models beyond multiplet ligand field theory |
||
| Arrival | Poster session Time for the participants to present their own research. | |||||
| 18:00 - … | Free evening program | Free evening program | Free evening program |
Posters
Feel free to bring your poster on Monday morning and place it on one of the walls of our institute.
