First part | Second part | Third part

As the first part of the summer school, The Summer School on DFT: Theories and Practical Aspects will be held from July 2nd to 6th. The lectures will be given in the morning session and the first session in the afternoon. After the lectures, each of participants will conduct exercise or own problems using a machine installed in ISSP. The own problem will be the issues that each participant will discuss in the research proposal submitted in the registration. In the last dat (July 6th), every participants will give a presentation on calculations that they conducted to share information during all the participants.

The following program is still temporal. We will update it once more details are fixed.

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The Program of the First Part

The 1st day (July 2nd)

		8:50-9:10						Registration

		9:10-9:30			Taisuke Ozaki (ISSP)			Opening remarks and self-introduction by each participant     PDF
		9:30-10:40			Taisuke Ozaki (ISSP)			Fundamentals of density functional theories (DFT)     PDF
		10:40-11:00						Break
		11:00-11:50			Taisuke Ozaki (ISSP)			Theories of pseudopotentials     PDF
		11:50-13:30						Lunch
		13:30-14:30			Taisuke Ozaki (ISSP)			Localized basis methods: theory and implementations PDF | PDF (Execises)
		14:30-15:30			Mitsuaki Kawamura (ISSP)			Hands-on introduction of OpenMX     PDF
		15:30-15:50						Break
		15:50-17:20			All participants			Logging in a computer in ISSP, and performing benchmark calculations     PDF

The 2nd day (July 3rd)

		9:30-10:30			Taisuke Ozaki (ISSP)			Molecular dynamics, stress, and nudged elastic band method     PDF
		10:30-10:50						Break
		10:50-11:50			Minoru Otani (AIST)			First-principles simulation of electrochemical reactions at solid-liquid interface     PDF
		11:50-13:30						Lunch
		13:30-14:30			Taisuke Ozaki (ISSP)			Large-scale electronic structure methods     PDF
		14:30-14:50						Break
		14:50-16:50			All participants			Performing exercise or own problems
		16:50-17:20			All participants			Discussion session

The 3rd day (July 4th)

		9:30-10:20			Taisuke Ozaki (ISSP)			Relativistic effects and non-collinear DFT     PDF
		10:20-10:40						Break
		10:40-11:50			Myung Joon Han (KAIST)			First-principles description of correlated electron materials: LDA+U and beyond     PDF
		11:50-13:30						Lunch
		13:30-14:30			Chi-Cheng Lee (ISSP)			Unfolding band structure into a conceptual Brillouin zone     PDF
		14:30-14:50						Break
		14:50-16:50			All participants			Performing exercise or own problems
		16:50-17:20			All participants			Discussion session

The 4th day (July 5th)

		9:30-10:30			Hongming Weng (CAS)			Generating Wannier Function within OpenMX     PDF
		10:30-10:50						Break
		10:50-11:50			Fumiyuki Ishii (Kanazawa Univ.)			First-Principles Calculation of Electric Polarization     PDF
		11:50-13:30						Lunch
		13:30-14:30			Taisuke Ozaki (ISSP)			First-principles electronic transport calculations     PDF
		14:30-14:50						Break
		14:50-16:50			All participants			Performing exercise or own problems
		16:50-17:20			All participants			Discussion session

The 5th day (July 6th)

		9:30-10:30			Taisuke Ozaki (ISSP)			Core level binding energies in solids from first-principles     PDF
		10:30-15:00						Break, Lunch, performing exercise or own problems, and preparing presentation material
		15:00-17:30			All participants			Presentation about your projects and/or calculations (10 minutes per person)
		17:30-17:40			Taisuke Ozaki (ISSP)			Closing remarks

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