Next:
Entering the crystal structure
Up:
Paratec http://www.nersc.gov/projects/paratec5.1 Documentation
Previous:
Changes in Paratec 5.0
Contents
Basic paratec usage
Subsections
Entering the crystal structure
Relaxing the crystal
The job variable
Deciding how much to relax
Plane wave code parameters
Plane wave job
Cutoff Energies
K-point grid and gaussian smearing
Number of bands
Pseudopotential format
Congratulations!
Jonathan Yates 2001-05-10
