KERNEL TRUNCATION/IDIMENSIONALITY

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Revision as of 09:38, 15 October 2024 by Svijay (talk | contribs)

KERNEL_TRUNCATION/IDIMENSIONALITY_CUTOFF = 0 | 2 | 3
Default: KERNEL_TRUNCATION/IDIMENSIONALITY_CUTOFF = 3 

Description: KERNEL_TRUNCATION/IDIMENSIONALITY_CUTOFF specifies the boundary condition used to compute the hartree and ionic potential


If KERNEL_TRUNCATION/LTRUNCATE_KERNEL = T, KERNEL_TRUNCATION/IDIMENSIONALITY_CUTOFF determines the boundary condition that is used to compute the local potential.