CUTOFF_CALIB

Parameters for the calibration of the energy cutoff by minimizing the errors due to finite cutoff and minimax approximation. Implemented as bisection of error(minimax) - error(cutoff). Not implemented for non-orthorhombic cells. [Edit on GitHub]

Keywords

DELTA
EPS
MAX
MIN

Keyword descriptions

DELTA: real = 9.00000000E-001 : Relative widening of cutoff interval in case starting values are not valid. [Edit on GitHub]

EPS: real = 1.00000000E-002 : Relative cutoff precision required to stop calibration. [Edit on GitHub]

MAX: real = 1.00000000E+004 : Initial guess of upper bound for cutoff. [Edit on GitHub]

MIN: real = 1.00000000E+001 : Initial guess of lower bound for cutoff. [Edit on GitHub]