next up previous contents
Next: Bibliography Up: Compiling the programs Previous: The TB-KKR program   Contents

Impurity program

The parameters are in file parameters.file. NTREFD: Number of reference atoms NTPERD: Number of impurity atoms NSEC: Size of GF matrix, can be found in file impurity.coefs in no symmetry case is (lmax+1)**2*ntperd. NREPD: Number of Irreducible representations, in case of no-symmetry (present version) set this to 1.



Nikos Papanikolaou 2002-11-08