[Pw_forum] ensemble DFT vs "PWSCF" DFT in metals

Eduardo Ariel Menendez Proupin eariel99 at gmail.com
Fri Apr 17 00:33:05 CEST 2009

I am curious about the difference between the ensemble DFT method
implemented in CP and the smeared DFT used in PWSCF with Methfessel-Paxton
smearing. ¿What is better for what system?

Eduardo Menendez
Departamento de Fisica
Facultad de Ciencias
Universidad de Chile
Phone: (56)(2)9787439
URL: http://fisica.ciencias.uchile.cl/~emenendez
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