[Pw_forum] Question of DOS at Ef

[Paolo Giannozzi]

On Friday 03 June 2005 02:03, Lijun Zhang wrote:

> I wanted to calculate the accurate DOS at Fermi energy 
> of some metal, how to do it?

the DOS at Fermi energy is not printed (except in the calculation 
of electron-phonon coefficients) but the DOS at any energy can be 
printed using postprocessing code "dos.x". The dos are calculated 
in PP/dosg.f90 and flib/dost.f90, respectively for gaussian broadening 
and tetrahedra

Paolo

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