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| workshop:heidelberg:september_2018:programme [2018/09/26 14:51] – Maurits W. Haverkort | workshop:heidelberg:september_2018:programme [2018/09/27 08:06] – Maurits W. Haverkort |
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| |13:30 - 15:00 | ::: |<color #000080>**Lecture M.-A. Arrio**</color> \\ Crystal-field theory and multiplets \\ **Powerpoints ** \\ {{ :workshop:heidelberg:september_2018:arrio-crystal-field-heidelberg2018.pdf | lecture slides}} \\ |<color #000080>**Lecture F. de Groot**</color> \\ Atomic multiplets and XPS \\ **Powerpoints** \\ {{ :workshop:heidelberg:september_2018:heidelberg18_xps_ctm4doc.pptx | XPS and CTM4DOC}} \\ **Codes** \\ [[http://www.anorg.chem.uu.nl/CTM4XAS/Updates/latestversions.html|CTM4DOC]] |<color #000080>**Lecture M. Retegan**</color> \\ Calculations using Crispy, a graphical interface \\ **Codes** \\ [[http://www.esrf.eu/computing/scientific/crispy/index.html|Crispy]] |<color #000080>**M. W. Haverkort**</color> \\ Ab initio many-body techniques | **Departure** | | |13:30 - 15:00 | ::: |<color #000080>**Lecture M.-A. Arrio**</color> \\ Crystal-field theory and multiplets \\ **Powerpoints ** \\ {{ :workshop:heidelberg:september_2018:arrio-crystal-field-heidelberg2018.pdf | lecture slides}} \\ |<color #000080>**Lecture F. de Groot**</color> \\ Atomic multiplets and XPS \\ **Powerpoints** \\ {{ :workshop:heidelberg:september_2018:heidelberg18_xps_ctm4doc.pptx | XPS and CTM4DOC}} \\ **Codes** \\ [[http://www.anorg.chem.uu.nl/CTM4XAS/Updates/latestversions.html|CTM4DOC]] |<color #000080>**Lecture M. Retegan**</color> \\ Calculations using Crispy, a graphical interface \\ **Codes** \\ [[http://www.esrf.eu/computing/scientific/crispy/index.html|Crispy]] |<color #000080>**M. W. Haverkort**</color> \\ Ab initio many-body techniques | **Departure** | |
| |15:00 - 15:30 | ::: | <color #008000>**Coffee**</color> | <color #008000>**Coffee**</color> | <color #008000>**Coffee**</color> | <color #008000>**Coffee**</color> | ::: | | |15:00 - 15:30 | ::: | <color #008000>**Coffee**</color> | <color #008000>**Coffee**</color> | <color #008000>**Coffee**</color> | <color #008000>**Coffee**</color> | ::: | |
| |15:30 - 17:00 | ::: |<color #800000>**Hands-on tutorials**</color> \\ Ground-state calculations: Energy level diagram, finite temperature, magnetic susceptibility of NiO in the crystal-field approximation \\ **Background literature** \\ [[physics_chemistry:point_groups:| Tables of Crystal-field potentials in the different point-groups ]] \\ **powerpoints** \\ {{ :workshop:heidelberg:september_2018:haverkort_spin-orbit.pptx | The size of spin orbit coupling and some other background on spin-orbit interaction }} \\ **tutorials** \\ {{ :workshop:heidelberg:september_2018:tutorial_monday_afternoon.zip | tutorials crystal field theory, temperature and magnetism }} \\ |<color #800000>**Hands-on tutorials**</color> \\ X-ray spectroscopy of NiO in the ligand-field approximation (XAS, PES, RXD, NIXS, RIXS) \\ **Tutorials** \\ {{ :workshop:heidelberg:september_2018:tutorial_tuesday_afternoon.zip | tutorials NiO Ligand field approximation }} |<color #800000>**Hands-on tutorials**</color> \\ Calculations using Crispy |<color #800000>**Hands-on tutorials**</color> \\ From DFT to MLFT \\ **powerpoints** \\ {{ :workshop:heidelberg:september_2018:dfttomlft.pdf | From DFT to MLFT }} \\ **tutorials** \\ {{ :workshop:heidelberg:september_2018:tutorialdfttomlft_website.zip | LDA+MLFT for NiO and CrF4}} | ::: | | |15:30 - 17:00 | ::: |<color #800000>**Hands-on tutorials**</color> \\ Ground-state calculations: Energy level diagram, finite temperature, magnetic susceptibility of NiO in the crystal-field approximation \\ **Background literature** \\ [[physics_chemistry:point_groups:| Tables of Crystal-field potentials in the different point-groups ]] \\ **powerpoints** \\ {{ :workshop:heidelberg:september_2018:haverkort_spin-orbit.pptx | The size of spin orbit coupling and some other background on spin-orbit interaction }} \\ **tutorials** \\ {{ :workshop:heidelberg:september_2018:tutorial_monday_afternoon.zip | tutorials crystal field theory, temperature and magnetism }} \\ |<color #800000>**Hands-on tutorials**</color> \\ X-ray spectroscopy of NiO in the ligand-field approximation (XAS, PES, RXD, NIXS, RIXS) \\ **Tutorials** \\ {{ :workshop:heidelberg:september_2018:tutorial_tuesday_afternoon.zip | tutorials NiO Ligand field approximation }} |<color #800000>**Hands-on tutorials**</color> \\ Calculations using Crispy |<color #800000>**Hands-on tutorials**</color> \\ From DFT to MLFT \\ **powerpoints** \\ {{ :workshop:heidelberg:september_2018:dfttomlft.pdf | From DFT to MLFT }} \\ **tutorials** \\ {{ :workshop:heidelberg:september_2018:tutorialdfttomlft_website.zip | LDA+MLFT for NiO and CrF4}} \\ {{ :workshop:heidelberg:september_2018:tutorial_thursday_dfttomlft.zip | tutorial including the DFT results - you do not need FPLO to run these }} | ::: | |
| | | **Arrival** | | | | | ::: | | | | **Arrival** | | | | | ::: | |
| |18:00 - ... | | Free evening program | <color #800080>**Poster session**</color> \\ Time for the participants to present their own research. | Free evening program | Free evening program | ::: | | |18:00 - ... | | Free evening program | <color #800080>**Poster session**</color> \\ Time for the participants to present their own research. | Free evening program | Free evening program | ::: | |
