[Pw_forum] (no subject)

[Paolo Giannozzi]

On Tuesday 14 February 2006 22:33, Eduardo Ariel Menendez P wrote:

> ekinc          ekin          epot          etot     tempp
> 0.02666     183.66406   -1213.20570    -960.95069       0.0
> b.t.w, what is ekin? Is it the run average of ekinc?

it should be the Kohn-Sham kinetic energy of electrons: 
\sum_i <\psi_|\nabla^2|\psi_i>

P.
-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
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