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howto:converging_cutoff [2017/06/20 14:29] – 130.237.185.202howto:converging_cutoff [2020/08/21 10:15] (current) – external edit 127.0.0.1
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 Therefore, the two most important keywords effecting the Therefore, the two most important keywords effecting the
 integration grid and the accuracy of a calculation are [[inp>FORCE_EVAL/DFT/MGRID#CUTOFF|CUTOFF]] and integration grid and the accuracy of a calculation are [[inp>FORCE_EVAL/DFT/MGRID#CUTOFF|CUTOFF]] and
-[[inp>FORCE_EVAL/DFT/MGRID#REL_CUTOFF|REL_CUTFF]]. If [[inp>FORCE_EVAL/DFT/MGRID#CUTOFF|CUTOFF]] is too low, then all grids will be coarse+[[inp>FORCE_EVAL/DFT/MGRID#REL_CUTOFF|REL_CUTOFF]]. If [[inp>FORCE_EVAL/DFT/MGRID#CUTOFF|CUTOFF]] is too low, then all grids will be coarse
 and the calculation may become inaccurate; and if ''REL_CUTOFF'' is and the calculation may become inaccurate; and if ''REL_CUTOFF'' is
 too low, then even if you have a high [[inp>FORCE_EVAL/DFT/MGRID#CUTOFF|CUTOFF]], all Gaussians will too low, then even if you have a high [[inp>FORCE_EVAL/DFT/MGRID#CUTOFF|CUTOFF]], all Gaussians will
howto/converging_cutoff.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1