[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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