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6.6 NRPLWV, NPLINI parameter


NRPLWV determines the maximum number of plane waves.

NPLINI sets the maximum number of plane waves for the initial diagonalization (for initial diagonalization see section 7.12). NPLINI must be at least as large as NBANDS. For the Davidson block iteration scheme NPLINI must be twice as large as NBANDS. VASP will stop if this is not the case (NPLINI is no longer required in VASP.4.X).

Mon Mar 29 10:38:29 MEST 1999