How many DFT functionals are available in CP2K?

huan... at mail.huji.ac.il huan... at mail.huji.ac.il
Mon Dec 9 15:38:14 CET 2013


Dear All,

I would like to know how many DFT functionals are available in CP2K. I just 
found some functionals in XC_FUNCTIONAL<http://manual.cp2k.org/cp2k-2_3-branch/CP2K_INPUT/ATOM/METHOD/XC/XC_FUNCTIONAL.html> section in 
CP2K manual, shown as below,

   - SECTION_PARAMETERS<http://manual.cp2k.org/cp2k-2_3-branch/CP2K_INPUT/ATOM/METHOD/XC/XC_FUNCTIONAL.html#list_SECTION_PARAMETERS>

List of valid keywords:
   
   - B3LYP
   - BLYP
   - BP
   - HCTH120
   - NONE
   - NO_SHORTCUT
   - OLYP
   - PADE
   - PBE
   - PBE0
   - TPSS


Are there the all functionals available for CP2K? If not, where to find the 
list for all the functionals?

Best wishes,
Huan


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