====== pwmat module ======

**[[pwmat:module:start|module]]**

  * [[pwmat:module:structure|物质结构]]

<WRAP indent>
<wrap indent><wrap round safety>结构搜索</wrap></wrap>
<WRAP indent>    
  * [[pwmat:module:structure:calypso|CALYPSO]]
  * [[pwmat:module:structure:uspex|USPEX]]
  * [[pwmat:module:structure:ga_algorithm|Genetic algorithm to search global minimum structure]]
</WRAP>
</WRAP>

<WRAP indent>
<wrap indent><wrap round safety>无序结构</wrap></wrap>
<WRAP indent>    
  * [[pwmat:module:structure:atat|ATAT]]
  * [[pwmat:module:structure:disorder|disorder]]
  * [[pwmat:module:structure:vca|Virtual Crystal Approximation (VCA) Calculations]]
  * [[pwmat:module:structure:bsmc|Bond switching Monte Carlo]]
</WRAP>
</WRAP>

<WRAP indent>
<wrap indent><wrap round safety>分子动力学数据处理</wrap></wrap>
<WRAP indent>    
  * [[pwmat:module:structure:rings|RINGS]]
  * [[pwmat:module:structure:plumed|PLUMED]]
</WRAP>
</WRAP>

<WRAP indent>
<wrap indent><wrap round safety>CIF 文件转换与结构处理</wrap></wrap>
<WRAP indent>    
  * [[pwmat:module:structure:cif2cell|CIF2CELL]]
</WRAP>
</WRAP>

  * [[pwmat:module:phonon|电子结构及声子计算]]

  * [[pwmat:module:optical|光、磁、力学和极化性质]]

  * [[pwmat:module:defect|缺陷性质]]

  * [[pwmat:module:elechemical|电化学性质]]

  * [[pwmat:module:transport|输运性质]]

~~DISCUSSION:off~~