The input of CP2K is well-organized using the following structure. One can follow the 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.
&SECTION KEYWORD PARAMETER &SUB_SECTION KEYWORD PARAMETER &END SUB_SECTION &END SECTION
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.
&GLOBAL PROJECT H2O RUN_TYPE ENERGY &END GLOBAL