[Pw_forum] flow-chart in PWSCF

[Paolo Giannozzi]

On Apr 8, 2010, at 19:23 , S. K. S. wrote:

> what, in fact, QE starts with  as an initial density n(r)  at the  
> 0th iteration,
> i.e. what is n_0(r) ????

the answer is printed at the beginning of the scf calculation:

      Initial potential from superposition of free atoms

P.
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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