The error_property not found: package

[Denis Andrienko]

Hi,

It looks like your xml file is a bit outdated. Here is an example of 
options.xml:

<options>

   <edft>
     <job>
       <file>edft.jobs</file>
     </job>
     <package>gaussian_molecule.xml</package>
     <tasks>input,run,parse</tasks>  <!-- input,run,parse -->
     <store>orbitals</store>
     <scratch></scratch>
   </edft>

   <idft>
     <job>
       <file>idft.jobs</file>
     </job>
     <dftpackage>gaussian_pair.xml</dftpackage>
     <package>gaussian_pair.xml</package>
     <job_file>idft.jobs</job_file>
     <tasks>input,run,trim,parse,project</tasks> <!-- 
input,run,trim,parse,project -->
     <store>orbitals,overlap,integrals</store>
     <degeneracy>0</degeneracy> <!-- Difference between energy levels to 
declare them degenerate (eV) -->
     <levels>3</levels> <!-- Overlap between HOMO, HOMO-1, ..., 
HOMO-levels; LUMO, LUMO+1, ..., LUMO+levels -->
     <trim>2</trim>
   </idft>

   <ianalyze>
     <resolution_logJ2>0.1</resolution_logJ2>
     <states>1</states>
   </ianalyze>

   <iimport>
     <TI_tag></TI_tag>
     <TI_file></TI_file>
     <idft_jobs_file>idft.jobs</idft_jobs_file>
   </iimport>

</options>

In addition, you have to have a gaussian_molecule.xml

<package>
   <name>gaussian</name>
   <executable>g09</executable>
   <checkpoint></checkpoint>
   <scratch></scratch>

   <charge>0</charge>
   <spin>1</spin>
   <options># pop=minimal pbepbe/6-311g scf=tight punch=mo nosymm pop=mk 
test</options>
   <!--options># pop=minimal int=zindos scf=tight punch=mo nosymm pop=mk 
test</options-->
   <memory>4Gb</memory>
   <threads>2</threads>

   <cleanup>fort.7,log,com</cleanup>
</package>

And a gaussian_pair.xml

<package>
   <name>gaussian</name>
   <executable>g09</executable>
   <checkpoint></checkpoint>
   <scratch></scratch>

   <charge>0</charge>
   <spin>1</spin>
   <options># pop=minimal pbepbe/6-311g scf=tight nosymm 
IOp(3/33=1,3/36=-1) punch=mo guess=cards scf=(maxcycle=1,conver=1) 
IOp(5/13=1)</options>
   <memory>4Gb</memory>
   <threads>2</threads>

   <cleanup>fort.7,log,com</cleanup>
</package>