FINITE_BASIS_NPOINTS (.param)
Keyword type
Integer
Description
This keyword controls the number of points used to estimate the BASIS_DE_DLOGE in automatic calculation of the finite basis set correction. Points are chosen such that the CUT_OFF_ENERGY corresponds to the highest energy in the set of FINITE_BASIS_NPOINTS cutoff energies.
This value is only used if FINITE_BASIS_CORR : 2.
Default
3
Example
FINITE_BASIS_NPOINTS : 5
See Also:
BASIS_DE_DLOGE
CUT_OFF_ENERGY
FINITE_BASIS_CORR
CASTEP keyword glossary
CASTEP parameters keywords