# to use GPAW/ASE software include this into your .bashrc (or execute in shell)
. /group/allatom/asmsoft/build/env.sh 

# atomic simulation environment

https://wiki.fysik.dtu.dk/ase/index.html

# building structures:

https://wiki.fysik.dtu.dk/ase/ase/build/build.html

# GPAW calculator:

https://wiki.fysik.dtu.dk/gpaw/documentation/manual.html

# optimizing structures:

https://wiki.fysik.dtu.dk/gpaw/tutorials/H2/optimization.html

# time-dependent DFT

https://wiki.fysik.dtu.dk/gpaw/documentation/tddft/timepropagation.html