[Q-e-developers] reference to give more details on the notation/algorithm of QE
giannozz at democritos.it
Tue Nov 29 09:27:56 CET 2011
On Nov 29, 2011, at 9:12 , Filippo Spiga wrote:
> this paper may help
or this one: http://iopscience.iop.org/0953-8984/21/39/395502/
but none of them actually covers in detail the structure of the
code and of the algorithms. You need more than a "general"
idea of how DFT works in order to know where to start from.
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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