[Pw_forum] Calculating the kinetic energy

Raghani Pushpa pushpa at jncasr.ac.in
Mon Apr 7 19:18:27 CEST 2003


Dear users,
The pwscf program calculates the different contributions to the total 
energy of the system. It calculates the one electron contribution also 
which contains kinetic enrgy and external potential. I want to get  the 
kinetic energy separately, i.e. the contribution to the total energy from 
kinetic energy of electrons. How can  I do that?

Thanx,
Pushpa

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