Simulation Methods in Practice SS 2014

Tutorials

• The tutorials will take place in the ICP CIP-Pool every Wednesday at 8:00-9:30.

• New worksheets are handed out every two weeks. The first worksheet will be handed out on Thu. 10.04. The following week is dedicated to working on problems related to the last worksheet. Homework in the form of a report should be sent to the responsible tutor (Bibek Adhikari or Narayanan Krishnamoorthy Anand) before the next worksheet will be handed out. The two-week cycle ends with the discussion of results of the previous worksheet and handing out a new one.

• The worksheets should be handed in every second Tuesday until 10 am (see dates below).

• Assessment of the tutorials

Each task within the tutorial is assigned a given number of points. Each student should have 50 % of the points from each tutorial as a prerequisite for the oral examination.

• Dates:

Worksheet	Handed out	To be handed in
Worksheet 1	10.04.2014	22.04.2014
Worksheet 2	24.04.2014	06.05.2014
Worksheet 3	08.05.2014	20.05.2014
Worksheet 4	22.05.2014	03.06.2014
Worksheet 5	05.06.2014	24.06.2014
Worksheet 6	03.07.2014	15.07.2014

Worksheets

• Worksheet 1 (zip-File with SIESTA input files and attachments) Quantum mechanical approaches - Hückel approximation and DFT methods
  • Worksheet 1 (the work sheet as a single PDF file)
  • SIESTA Download
  • SIESTA Installation Guide
  • Hands-on-tutorial for SIESTA, Lyon 2007

• Worksheet 2 (zip-File with si.fdf) Properties of fermions and Density functional theory
  • Worksheet 2 (the work sheet as a single PDF file)