<package>
<name help="name of dft package">gaussian</name>
<executable help="executable command for package">g03</executable>
<scratch help="directory to use for temp files of package">/tmp/gaussian</scratch>
<basisset help="basiset to use">ubecppol</basisset>
<ecp help="Pseudo potential to use, Delete if you do not want to use ecps">ecp</ecp>
<charge help="charge of system">0</charge>
<spin help="multiplicity of qm configuration">1</spin>
<options help="additional options that should be written to input file"># pop=minimal pbepbe/gen pseudo=read punch=mo nosymm test</options>
<memory help="maximum memory code should use">1Gb</memory>
<cleanup help="files to delete identified by fileending"></cleanup>
</package>