Table of Contents
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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 9-10-2019 --------------------------- | Monday 10-10-2019 --------------------------------- | Tuesday 11-10-2019 --------------------------------- | Wednesday 12-10-2019 --------------------------------- | Thursday 13-10-2019 --------------------------------- | Friday 14-10-2019 --------------------------------- |
|---|---|---|---|---|---|---|
| 9:00 - 10:30 | Lecture Person1 Title1 Background literature Literature1 Powerpoints PPT1 | Lecture Person3 Title3 Background literature Literature3 Powerpoints PPT3 Codes Codes3 | Lecture Person5 Title5 Powerpoints PPT5 | Lecture Person7 Title7 Powerpoints PPT7 | Lecture Person9 Title9 Powerpoints PPT9 |
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| 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 Density functional theory calculation of NiO and CrF$_4$: bands, DOS, Wannier functions Documentation FPLO documentation FPLO Wannier function documentation Tutorials see the afternoon session External Tutorials FPLO tutorials by Klaus Koepernik and Deepa Kasinathan | Hands-on tutorials Polarization dependence and tensor formulation of XAS, RIXS and NIXS Background literature XAS as a tensor handwritten notes response functions - classical handwritten notes response functions - two level system handwritten notes response functions - dissipation and time domain Phys. Rev. B 82, 094403 (2010) Symmetry analysis of magneto-optical effects Powerpoints XAS as a tensor Tutorials Tutorials calculating spectroscopy with polarisation dependence | Hands-on tutorials Multi-scale modelling of RIXS. Magnon dispersion in NiO and EuO as seen with RIXS tutorials Tutorials calculating dispersive magnetic excitations |
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| 12:30 - 13:30 | Lunch | Lunch | Lunch | Lunch | Lunch | |
| 13:30 - 15:00 | Lecture M.-A. Arrio Crystal-field theory and multiplets Background literature Introduction to ligand field theory by Carl J. Ballhausen Powerpoints Crystal-field in multi-electron ions | Lecture M. Retegan Calculations using Crispy, a graphical interface Codes Crispy Powerpoints Crispy tutorial | Lecture M. W. Haverkort Ab initio many-body techniques Powerpoints Some examples of band-structures, Wannier functions and resulting ligand-field theory models part 1 and part 2 | R. Green Double clusters. Band-structure effects in XAS and RIXS. Spectroscopy of metals, from excitons to resonances Powerpoints Models beyond MLFT | 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 |
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| 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.
