[Pw_forum] something strange with my nscf and projwfc calculations

Paolo Giannozzi giannozz at democritos.it
Thu Jul 17 21:23:42 CEST 2008


On Jul 17, 2008, at 19:11 , vega lew wrote:

>      Band Structure Calculation
>      Davidson diagonalization with overlap
>      WARNING:    14 eigenvalues not converged

http://www.democritos.it/pipermail/pw_forum/2007-November/007832.html
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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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