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--- workshop:heidelberg:october_2019:programme [2019/10/10 13:29] – Maurits W. Haverkort
+++ workshop:heidelberg:october_2019:programme [2019/10/10 13:36] – Maurits W. Haverkort
@@ Line 12: / Line 12: @@
 |13:30 - 15:00 | ::: |<color #000080>**Lecture M.-A. Arrio**</color> \\ Crystal-field theory and multiplets \\ **Background literature** \\ //Introduction to ligand field theory// by Carl J. Ballhausen \\ **Powerpoints ** \\ {{ :workshop:heidelberg:october_2019:arrio_crystal-field_heidelberg_2019.pptx | Crystal-field in multi-electron ions }} \\ |<color #000080>**Lecture M. Retegan**</color> \\ Calculations using Crispy, a graphical interface \\ **Codes** \\ [[http://www.esrf.eu/computing/scientific/crispy/index.html|Crispy]]  \\ **Powerpoints** \\ {{ :workshop:heidelberg:october_2019:crispy_tutorial.pptx | Crispy tutorial  }} \\  |<color #000080>**Lecture M. W. Haverkort**</color> \\ Ab initio many-body techniques \\ **Powerpoints** \\ Some examples of band-structures, Wannier functions and resulting ligand-field theory models \\ {{ :workshop:heidelberg:october_2019:haverkort_dft_to_tightbinding_ligandfield_part1.pptx | part 1}} and \\ {{ :workshop:heidelberg:october_2019:haverkort_dft_to_tightbinding_ligandfield_part2.pptx | part 2}} \\ |<color #000080>**R. Green**</color> \\ Double clusters. Band-structure effects in XAS and RIXS. Spectroscopy of metals, from excitons to resonances \\ **Powerpoints** \\ {{ :workshop:heidelberg:october_2019:models_beyond_mlft.pptx | Models beyond MLFT}} \\ |  **Departure**  |
 |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> \\ 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** \\ {{ :workshop:heidelberg:october_2019:different_types_of_spectroscopy_and_theory_talk_1.pptx | different types of spectroscopy talk 1 }} \\ {{ :workshop:heidelberg:october_2019:different_types_of_spectroscopy_and_theory_talk_2.pptx | different types of spectroscopy talk 2 }}   \\ **tutorials** \\ {{ :workshop:heidelberg:october_2019:tutorial_monday_afternoon.zip | tutorials ground-state and spectroscopy calculations using crystal field theory }} \\ |<color #800000>**Hands-on tutorials**</color> \\ Calculations using Crispy \\ **Tutorials** \\ continuation from the session before the coffee brake \\ |<color #800000>**Hands-on tutorials**</color> \\ From DFT to MLFT \\ **powerpoints** \\ {{ :workshop:heidelberg:october_2019:dfttomlft.pdf | From DFT to MLFT }} \\ **tutorials** \\ {{ :workshop:heidelberg:october_2019:tutorialdfttomlft.zip | LDA+MLFT for NiO and CrF4}} \\ {{ :workshop:heidelberg:october_2019:tutorialdfttomlftwithresults.zip | tutorial including the DFT results - you do not need FPLO to run these }} \\ |<color #800000>**Hands-on tutorials**</color> \\ Double cluster and Anderson impurity models  \\ **powerpoints** \\ \\ **tutorials** \\ \\  | ::: |
+|15:30 - 17:00 | ::: |<color #800000>**Hands-on tutorials**</color> \\ 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** \\ {{ :workshop:heidelberg:october_2019:different_types_of_spectroscopy_and_theory_talk_1.pptx | different types of spectroscopy talk 1 }} \\ {{ :workshop:heidelberg:october_2019:different_types_of_spectroscopy_and_theory_talk_2.pptx | different types of spectroscopy talk 2 }}   \\ **tutorials** \\ {{ :workshop:heidelberg:october_2019:tutorial_monday_afternoon.zip | tutorials ground-state and spectroscopy calculations using crystal field theory }} \\ |<color #800000>**Hands-on tutorials**</color> \\ Calculations using Crispy \\ **Tutorials** \\ continuation from the session before the coffee brake \\ |<color #800000>**Hands-on tutorials**</color> \\ From DFT to MLFT \\ **powerpoints** \\ {{ :workshop:heidelberg:october_2019:dfttomlft.pdf | From DFT to MLFT }} \\ **tutorials** \\ {{ :workshop:heidelberg:october_2019:tutorialdfttomlft.zip | LDA+MLFT for NiO and CrF4}} \\ {{ :workshop:heidelberg:october_2019:tutorialdfttomlftwithresults.zip | tutorial including the DFT results - you do not need FPLO to run these }} \\ |<color #800000>**Hands-on tutorials**</color> \\ Double cluster and Anderson impurity models  \\ **tutorials** \\ {{ :workshop:heidelberg:october_2019:tutorials_thursday_afternoon.zip | tutorial on models beyond multiplet ligand field theory }} \\  | ::: |
 |  |  **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 | ::: |

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