Sample input files for YAeHMOP

The sample files listed in the following table illustrate many of the features of YAeHMOP version 2.x. and subsequent releases.Note that they will not work with versions 1.x.

Note: all of the sample files on this page are included in the YAeHMOP distributions.

System Dimensionality Notes
CoNb4Si 3-D
Diamond 3-D
Diamond 3-D 3s orbitals on C
Te2Br 3-D
Cp2Zr Molecular
Fe(CO)4Eth Molecular
XeF4 Molecular

More Sample input files wanted !

If you have input files (that work) that you are willing to have other people look at please e-mail them to We'll be sure to acknowledge the sources of all the files we include for distribution. If the files are for published (or submitted) results, please indicate that in a comment towards the top of the file.

Thanks !

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Updated 23 July, 2001.