Wiki
Kursus 10302

Computer exercises
Page last edited by Nikolaj Rørbæk Knøsgaard (nirkn) 25/02-2020

First computer exercise (CX1 - February 5, 2020)

First follow the ASE and Python getting started tutorials on the following link. If you already know Python skip the Python tutorial. If you encounter a section involving calculators other than GPAW and EMT then read the exercise but dont execute the code

When done with the "getting started" exercises continue with the regular tutorials:

Second computer exercise (CX2 - February 12, 2020)

Do the exercises on the GPAW Exercises page.  Start with the Introductory and Intermediate exercises.  You will continue with these exercises in the following computer exercises sessions.

Please read the page Running simulations in the databar for hints on how to use the databar computers in an efficient manner.

Third computer exercise (CX4 - February 26, 2020)

Continue with the intermediate GPAW Exercises

Fourth computer exercise (CX4 - March 4, 2020)

Continue with the GPAW Exercises.  Select among the intermediate and advanced exercises according to your interest (or take them in order).  You may also look for inspiration in the GPAW Tutorials, although many of those cover quite advanced topics.

Fifth computer exercise (CX5 - March 11, 2020)

You should start with the following advanced GPAW Exercises today (if you have not done them already):

6th computer exercise (CX6 - March 18, 2020)

Continue with the advanced GPAW Exercises today of your choice but make sure you finish the 3 exercises mentioned in CX5.

Computer exercise on pseudopotentials (March 18, 2020)

Today's exercise is about trying to construct a pseudopotential for a simple spherical well model of an atom.
The problemset and the jupyter notebook for the numerical work can be found in Filesharing/Exercises on the course homepage:
Support: +45 45 25 74 43