[Pw_forum] [Fwd: Unedrstanding cohesive energy]

[Paolo Giannozzi]

On Tuesday 28 June 2005 10:14, Mousumi Upadhyay Kahaly wrote:

> [...] total energy is being obtained if we add other terms except
> "band energy sum" i.e. total energy = "one-electron contribution" +
> "hartree contribution" + "xc contribution" + "ewald contribution" +
> "correction for metals ".
>        Any help to understand this is appreciated.  regards. mousumi.

For the definiiton of the various terms, see
  http://www.democritos.it/pipermail/pw_forum/2003-May/000291.html
and
  http://www.democritos.it/pipermail/pw_forum/2003-May/000293.html

Paolo

-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
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