[Pw_forum] Davidson algorithm

Paolo Giannozzi giannozz at nest.sns.it
Tue Nov 6 18:09:23 CET 2007


On Nov 6, 2007, at 14:54 , Paolo Giannozzi wrote:

> The basic reference is E. R. Davidson, "The iterative calculation of
> a few of the lowest eigenvalues and corresponding eigenvectors of
> large real-symmetric matrices," Comput. Phys. 17, 87-94 (1975).
> The only PWscf-specific stuff I have is the following

a correction: the following is "PW-specific", i.e. specific for the
Plane-Wave basis set, but it is by no means specific to the
implementation that is used in PWscf

Paolo
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222






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