[Pw_forum] B3LYP calculation

Eduardo Ariel Menendez P emenendez at macul.ciencias.uchile.cl
Tue Jun 28 23:23:12 CEST 2005

Previous message: [Pw_forum] Question on phonon calculation.
Next message: [Pw_forum] B3LYP calculation
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

Hello,
I would like to know if it is possible to use the B3LYP functional with
ESPRESSO, and if B3LYP has been tested  for solid state calculation
(metallic).
Thanks

Eduardo A. Menendez Proupin
Department of Physics
Faculty of Science
University of Chile
Las Palmeras 3425
Ñuñoa, Santiago
Chile
Phone: 56+2+678 74 11
http://fisica.ciencias.uchile.cl/~emenendez/

Previous message: [Pw_forum] Question on phonon calculation.
Next message: [Pw_forum] B3LYP calculation
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

More information about the users mailing list