[Pw_forum] spilling parameter

Paolo Giannozzi giannozz at democritos.it
Tue Mar 2 17:43:01 CET 2010


In PP/projwfc.f90:

      ! Sanchez-Portal et al., Sol. State Commun.  95, 685 (1995).
      ! The spilling parameter measures the ability of the basis provided
      ! by the pseudo-atomic wfc to represent the PW eigenstates,
      ! by measuring how much of the subspace of the Hamiltonian
      ! eigenstates falls outside the subspace spanned by the atomic basis

P.
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy


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