Resources

This directory is meant for sharing useful information and program/scripts between our group members.

Please add your contributions to the following list:

Jul. 23, 2001 fhi2dft++.tgz

A stand-alone program for converting FHI pseudopotential to DFT++ native format.

Feb. 22, 2001 dft++_units.html

Documents the units used in the DFT++ code. Mass-unit is especially non-intuitive.

Sept. 11, 2000 stripper.pl

Script to get rid of electronic minimization stuff from dft++ MD output files.

Aug 3, 2000 paratec documentation

Documentation for Paratec code.

Nov 23, 1999 utilities/t3e_2_pc.c

Binary data file format conversion between T3E (big endian) and IntelPC (little endian).

Nov 13, 1999 utilitites/moview_md

Make movie gifs out of ion-dynamic results.

Nov 9, 1999 doc/force

The details of how DFT++ does force calculations.

Nov 5, 1999 matlab/Data Extractor

Interactively extracting data from mixed-formatted text result files.

Oct 26, 1999 matlab/Pseudopotential Plotter

importing and viewing pseudopotentials in matlab.

Oct 25, 1999 doc/memory.html

DFT++ memory usage summary.