The input of CP2K is well-organized using the following structure. One can follow the [[https://manual.cp2k.org/|CP2K Manual]] to tailor the input.

Each section is initialized by **&SECTION** and closed by **&END SECTION**. Within a **SECTION**, one has the freedom to give the **PARAMETER** to the **KEYWORD** within this **SECTION**.


<code>
&SECTION
   KEYWORD PARAMETER
   &SUB_SECTION
      KEYWORD PARAMETER
   &END SUB_SECTION
&END SECTION
</code>


For example, within the **GLOBAL** section, **PROJECT** reads **H2O** as the project name, which will give the prefix of the printout files. **RUN_TYPE** reads **ENERGY** to carry out single-point energy calculations. 
<code>
&GLOBAL
  PROJECT H2O
  RUN_TYPE ENERGY
&END GLOBAL
</code>