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Dimensioning parameters

The following dimensioning parameters (listed in param.inc_r and param.inc_c) are used:

LMAX   highest l+1 in basis function inside sphere (consistent with input in case.in1)
LOMAX  highest l for local orbital basis (consistent with input in case.in1)
NATO   number of inequivalent atoms
NDIF   total number of atoms per unit cell
NMAT   size of matrix (defines size of program!)
NRAD   number of radial mesh points
NSYM   order of point group
NUME   maximum number of energy eigenvalues per k-point
NUMEO   number of band combinations (at most NUME*(NUME+1)/2)
NKPT   fixed at 3, since each k-point is calculated seperately




2000-04-11