[CP2K-user] self-consistent continuum solvation (SCCS) model

shabnam borji shabna... at gmail.com
Tue Nov 12 11:23:10 UTC 2019


 

Hi all,

can anyone say me, what is difference between CP2K_INPUT 
<https://manual.cp2k.org/cp2k-6_1-branch/CP2K_INPUT.html> / FORCE_EVAL 
<https://manual.cp2k.org/cp2k-6_1-branch/CP2K_INPUT/FORCE_EVAL.html> / DFT 
<https://manual.cp2k.org/cp2k-6_1-branch/CP2K_INPUT/FORCE_EVAL/DFT.html> / 
SCCS 
<https://manual.cp2k.org/cp2k-6_1-branch/CP2K_INPUT/FORCE_EVAL/DFT/SCCS.html> 
and CP2K_INPUT <https://manual.cp2k.org/trunk/CP2K_INPUT.html> / FORCE_EVAL 
<https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL.html> / DFT 
<https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT.html> / POISSON 
<https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/POISSON.html> / 
IMPLICIT 
<https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/POISSON/IMPLICIT.html>? 
and for a system that contain one polymer in water solution, which one 
should be used in input for investigation solvent effect on structure of 
polymer?
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