<!--

       Copyright 2011 Peter Murray-Rust et. al.

       Licensed under the Apache License, Version 2.0 (the "License");
       you may not use this file except in compliance with the License.
       You may obtain a copy of the License at

           http://www.apache.org/licenses/LICENSE-2.0

       Unless required by applicable law or agreed to in writing, software
       distributed under the License is distributed on an "AS IS" BASIS,
       WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
       See the License for the specific language governing permissions and
       limitations under the License.

-->

<dictionary 
  namespace="http://www.uam.es/siesta/namespace"
  dictionaryPrefix="siesta"
  title="SIESTA dictionary"
  xmlns="http://www.xml-cml.org/schema"
  xmlns:siesta="http://www.uam.es/siesta/namespace"
  xmlns:xsd="http://www.w3.org/2001/XMLSchema"
  >
  
  <entry id="fullvol" term="Full cell volume">
     <annotation>
       <appinfo>
         <scalar dataType="xsd:double" unitType="unitType:volume">1</scalar>
        </appinfo>
      </annotation>
    <definition>The full cell volume.</definition>
    <description>Contrast primitive cell volume which may not reflect the full symmetry.</description>
  </entry>

 <entry id="Arch" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="broyden_maxit" term="DM.NumberBroyden">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="cellvol" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="cfmax" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="DaC" term="Diag.DivideAndConquer">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="dDtol" term="DM.Tolerance">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="DEna" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="dipol" term="Electric dipole">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="DUext" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="DUext" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="DUscf" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="E_Fermi" term="Fermi Energy">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="E_KS" term="Final KS Energy">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="E_KS_egg" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="Ecorrec" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="Ef" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="Eharrs" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="Eharrs" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="EharrsK" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="Eions" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="Ekin" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="Ekin" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="Ekinion" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="Ekinion" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="Emad" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="Ena" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="EndTime" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="Enl" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="etemp" term="ElectronicTemperature">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="Etot" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="EtotK" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="Exc" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="Exc" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="fixspin" term="FixSpin">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="Flags" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="fmax" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="forces" term="Forces">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="FreeE" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="FreeEK" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="fres" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="ftot" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="g2max" term="MeshCutOff">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="g2mesh" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="I-e" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="I-I" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="maxsav" term="DM.NumberPulay">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="maxscf" term="MaxSCFIterations">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="MD.BulkModulus" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="MD.MaxCGDispl" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="MD.MaxForceTol" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="MD.NumCGSteps" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="MD.TypeOfRun" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="MD.UseSaveCG" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="MemoryFactor" term="Diag.Memory">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="mix" term="DM.MixSCF1">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="Mode" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="negl" term="NeglNonOverlapInt">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="NetCharge" term="NetCharge">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="nkick" term="DM.NumberKick">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="nkpoints" term="Number of k-points">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="Nodes" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="ns" term="NumberOfSpecies">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="ntm" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="occtol" term="DM.OccupancyTolerance">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="pressMol" term="Pressure of Molecule">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="pressSol" term="Pressure of Solid">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="Program" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="pulfile" term="DM.PulayOnFile">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="SCF" term="SCF Cycle">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="SCFmethod" term="SolutionMethod">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="shape" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="slabel" term="SystemLabel">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="sname" term="SystemName">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="StartTime" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="stress" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="ts" term="TotalSpin">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="Uscf" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="usesavedm" term="DM.UseSaveDM">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="verbosity" term="LongOutput">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="Version" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="wmix" term="DM.MixingWeight">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="wmixkick" term="DM.KickMixingWeight">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="WriteDenChar" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 

 <entry id="WriteMullikenPop" term="...">
  <annotation>
   <appinfo>
  ...
   </appinfo>
  </annotation>
  <definition>...</definition>
  <description>...</description>
 </entry>
 
</dictionary>

