[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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