Core pot buffer
Revision as of 07:21, 20 April 2025 by Miguel Caro (talk | contribs) (Created page with "<code>core_pot_buffer</code> defines the buffer zone of the cosine cutoff function, in Angstrom, for use with <code>core_pot_cutoff</code>. The value of <code>core_p...")
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
| 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.
