[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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