Core pot buffer

core_pot_buffer defines the buffer zone of the cosine cutoff function, in Angstrom, for use with core_pot_cutoff. The value of core_pot_buffer is only used if the value of core_pot_cutoff is smaller than the default cutoff for the tabulated core potential.

Summary

Summary for core_pot_buffer keyword

Required/optional	Type	Accepted values	Default	See also
Optional	Real	Any positive real	1. (only used if core_pot_cutoff is smaller than the tabulated core potential cutoff)	core potential, core_pot_cutoff

Example

core_pot_cutoff = 10.
core_pot_buffer = 1.