[CP2K-user] [CP2K:19448] The problem of EXTERNAL_POTENTIAL

廉永健(lianyongjian) j2277388097 at gmail.com
Wed Nov 1 08:47:04 UTC 2023


Dear developer
   I want to restrict OH radicals to remain on the water surface by section 
EXTERNAL_POTENTIAL . I want to know if this will make my results unreliable 
?In addiction,    CP2K_INPUT / FORCE_EVAL / EXTERNAL_POTENTIAL or  
CP2K_INPUT / FORCE_EVAL / DFT / EXTERNAL_POTENTIAL   Which one should I 
choose?  Finally, Could you recommend a suitable function form for me 
?Looking forward to your reply very much !Thank you in advance !

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