GIPAW

Presentations

Calculation of Magnetic Resonance Parameters - Jonathan Yates
The GIPAW Code - Jonathan Yates

Tutorial

First download the tutorial files to Stokes

course03@stokes2:~/tmp> wget http://www.tcm.phy.cam.ac.uk/~jry20/cork/gipaw_tut.tgz
course03@stokes2:~/tmp> tar -zxf gipaw_tut.tgz

• Example 1 Chemical Shifts
• Example 2 Assigning Oxygen-17 spectra of silicates
• Example 3 Some short EPR examples

Useful Links

• Pseudopotentials
• PWSCF keywords
• www.gipaw.net
• Intro to GIPAW (Encyclopedia Article)
• Latest (2008) Nuclear Quadrupole Moments