[CPMD-list] Energy components - PRINT ENERGY

[eli at us.es]

Hello all,

I'm trying to understand the different energy components that I can get
using PRINT ENERGY, can anybody please explain to me what
these keywords refer to?

EKIN: kinetic energy of the electrons

ELECTROSTATIC, ESR, ESELF, EFREE,
EBAND, ENTROPY, EPSEU, EHEP, EHEE, EHII, ENL, EXC, VXC, EGC,
EBOGO

Thanks in advance,

Eli

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  Elizabeth Corbacho Beret                     
  PhD. Student                                            
  Departamento de Quimica Fisica
  Universidad de Sevilla
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