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Dimensioning parameters

The following parameters are used (collected in file param.inc_r or param.inc_c):

IBLCK   Blocking parameter (32-255) in fourier.frc, optimize for best performance
IBLOCK   Blocking parameter (32-255) in l2main.frc, optimize for best performance
KMAX1   the highest h,k,l Fourier components of the density
KMAX2 
KMAX3 
LMAX2   highest l in wave function inside sphere (smaller than in lapw1, at present must be .le. 6)
LOMAX   max l for local orbital basis
NATO   number of inequivalent atoms
NCOM   number of LM terms in density
NDIF   total number of atoms per unit cell
NGAU   max. number of Gaunt numbers
NKPT   number of k-points in irreducible wedge
NMAT   size of matrix
NRAD   number of radial mesh points
NSYM   order of point group
NUME   maximum number of energy eigenvalues per k-point
NWAV   number of stars in Fourier series of the density and potential




2000-04-11