Maxwell : atompaw

ATOMPAW generates projector and basis functions which are needed for performing electronic structure calculations (Density-Functional Theory) based on the Projector Augmented-Wave (PAW) method.

Using  atompaw

 To initialize the environment use the module command or invoke directly from path:

module load maxwell
module avail atompaw
#  ------ /software/etc/modulefiles -----
#  atompaw/4.1.1

module load atompaw

which atompaw
#  /software/atompaw/4.1.1/bin/atompaw