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ADF

ADF (Amsterdam Density Functional) is software for first-principles electronic structure calculations (molecules and solids), based on Density Functional Theory (DFT).  Runs in parallel under MPI.

Category:  Chemistry

Usage Notes:

Show the software versions:  module avail adf

Loading the module will set the path and any necessary variables:  module load adf/version

The environmental variable $ADFHOME will be set.  A sample input file and PBS script are available in the $ADFHOME/examples directory.

Access to ADF is restricted.  Contact ccr-help with inquires.