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 Piazza dei Cavalieri 7 I-56126 Pisa, Italy
