DoD Planewave is one component of the CCM-1 (Density Functional Methods for Materials) Project. The other main component is ACRES: a scalable real space adaptive grid package for materials.
This is version 3.43. Version 3.43 includes a conjugate gradient structure optimization in addition to the damped dynamics algorithm of previous releases. We appologize for some glitches in this. Hopefully the current version 3.43c takes care of most of these.
SPCGRP files for some lattices are provided via a link on this web site. Additional information on crystal lattices is available on this server.
DoD Planewave is free of charge. Source code is provided. Contact (D.J. Singh (Privacy Advisory)) for access.
The present implementation of DoD Planewave is a scalable code designed for the IBM SP2, SGI Origin 2000 and LINUX Cluster architectures. Source code written in Fortran 90 with MPI calls is provided.
WARNING: DoD Planewave is pre-release BETA Test software. Please report any bugs, glitches or other problems to singh@dave.nrl.navy.mil (Privacy Advisory)
This software and any accompanying documentation are released "as is." The U.S. Government makes no warranty of any kind, expressed or implied, concerning this software and any accompanying documentation, including without limitation, any warranties of merchantability or fitness for a particular purpose. In no event will the U.S. Government be liable for any damages, including any lost profits, lost savings, or other incidental or consequential damages arising out of the use, or inability of use, of this software or any accompanying documentation, even if informed in advance of the possibility of such damages.
