[Pw_forum] Extracting the kinetic energy from the one-electron contribution

[Passerone, Daniele]

Dear users/developers

I have a very trivial question, but unfortunately I can not find an immediate solution.
How to isolate and print the kinetic energy contribution to the one-electron energy (that is printed at the end 
of a scf run?).
I see in the code that the one-electron contribution is not computed directly as sum of Vion and Ekin, 
and I suppose that the latter (which is computed in G-space) should be available somewhere...

Thank you for any help,

Daniele 



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Dr. Daniele Passerone
Theory and atomistic simulation of materials group

Empa
Swiss Federal Laboratories for Materials Science and Research
nanotech at surfaces laboratory

Ueberlandstrasse 129 
CH-8600 Dübendorf
Switzerland
Tel.: +41-(0)44-8234877
Fax : +41-(0)44-8234031

E-mail in case of false blacklisting: daniele.passerone at hispeed.ch