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| ===Monday 08/19===
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| *9:00AM-9:30AM: Breakfast.
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| *9:30AM-9:45AM: Introductory remarks and logistics. (Nikolić)
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| *9:45AM-10:30AM: Orbitals, chemical bonds, bands ("spaghetti lines"), high symmetry directions and all that explained on graphene. (Nikolić)
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| *10:30AM-10:45AM: Break.
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| *10:45AM-11:45AM: Electronic structure via DFT methods: Example of graphene. (Nikolić)
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| *11:45AM-1:00PM: Lunch.
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| *1:00PM-2:00PM: [[Media:Hands-On.pdf|Introduction to DFT via OpenMX]]. (Kefayati)
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| *2:00PM-2:15PM: Break.
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| *2:15PM-3:15PM: Hands-on: Silicon using OpenMX. (Kefayati)
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| ===Tuesday 08/20===
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| *9:00AM-9:30AM: Breakfast.
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| *9:30AM-10:30AM: Convergence of OpenMX calculations using Silicon example. (Kefayati)
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| *10:30AM-10:45AM: Break.
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| *10:45AM-11:45AM: DFT for magnetic materials. (Kefayati)
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| *11:45AM-1:00PM: Lunch.
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| *1:00PM-2:00PM: [https://wiki.physics.udel.edu/wiki_cmpb/images/8/89/Hands-On-Fe.pdf Hands-on: Fe using OpenMX]. (Kefayati)
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| *2:00PM-2:15PM: Break.
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| *2:15PM-3:15PM: Hands-on: Magnons in Fe using OpenMX. (Kefayati)
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|
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| ===Wednesday 08/21===
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| *9:00AM-9:30AM: Breakfast.
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| *9:30AM-10:30AM: [https://www.vasp.at/wiki/images/5/5d/VASP_lecture_Basics.pdf Introduction to DFT via VASP]. (Kang)
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| *10:30AM-10:45AM: Break.
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| *10:45AM-11:45AM: [https://wiki.physics.udel.edu/wiki_cmpb/images/c/c3/Dft_hand_on_h2o_relaxation.pdf Hands-on: H<sub>2</sub>O using VASP]. (Kang)
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| *11:45AM-1:00PM: Lunch.
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| *1:00PM-2:00PM: [https://wiki.physics.udel.edu/wiki_cmpb/images/9/9a/Dft_hand_on_graphene.pdf Hands-on: Graphene using VASP]. (Kang)
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| *2:00PM-2:15PM: Break.
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| *2:15PM-3:15PM: [https://wiki.physics.udel.edu/wiki_cmpb/images/0/03/Intro_manybody.pdf Introduction to many-body perturbation theory (GW) combined with dynamical mean field theory (DMFT)] with [https://wiki.physics.udel.edu/wiki_cmpb/images/4/49/Manybody_applications.pdf application to magnetic materials]. (Kang)
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| ===Thursday 08/22===
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| *9:00AM-9:30AM: Breakfast.
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| *9:30AM-10:30AM: Hands-on: NiO via VASP or LSQGW+DMFT. (Kang)
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| *10:30AM-10:45AM: Break.
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| *10:45AM-11:45AM: Hands-on: NiO via OpenMX. (Kefayati)
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| *11:45-1:00PM: Lunch.
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| *1:00PM-2:00PM: Introduction to TB2J and UppASD packages. (Kefayati)
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| *2:00PM-2:15PM: Break.
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| *2:15PM-3:15PM: Magnons in FeO from OpenMX->TB2J->UppASD. (Kefayati)
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| ===Friday 08/23===
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| *9:00AM-9:30AM: Breakfast.
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| *9:30AM-10:30AM: Introduction to DFT via QCHEM. (Li)
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| *10:30AM-10:45AM: Break.
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| *10:45AM-11:45AM: Hands-on: via QCHEM. (Li)
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