[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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