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 |
If you have input files (that work) that you are willing to have other people look at please e-mail them to yaehmop-help@lists.sourceforge.net. 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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