The program we use for eHT calculations on both molecules and extended structures (polymers, surfaces, solids) is YAeHMOP. YAeHMOP has programs for both the generation of the electronic structure and visualization of the results. It runs on Unix workstations and power macintoshes. The package is freely available in both source and binary forms from either web site: http://yaehmop.sourceforge.net/

The web site has a description of the program, some sample input files, and a link to the HTML version of the manual.

YAeHMOP is written almost entirely in C and uses dynamic memory allocation, so the only limit on the size of the calculation you can do is the amount of virtual memory available on your computer and how long you are willing to wait for it to run.

Questions about the program please send e-mail to yaehmop-help@lists.sourceforge.net.

Greg Landrum