Salvador, I do not believe there is a KEYWORD for printing the occupancies. (It would be quite useful though, hint, hint.)
In the past, I've just taking the appropriate subroutine and had it write the information to a file. On Dec 13, 2007 10:04 AM, Salvador Barraza-Lopez <[EMAIL PROTECTED]> wrote: > Hello SIESTA users, > I would like to know if there is a way to obtain the electronic > occupancies for a given eigenstate in SIESTA. I know one can determine > this by the location of the Fermi energy but still would like to know if > there is another way to obtain occupancies for electronic temperatures > greater than zero (or of the order of an energy gap). Your comments will > be greatly appreciated. > With seasonal greetings, > -Salvador. > -- Nichols A. Romero, Ph.D. DoD User Productivity Enhancement and Technology Transfer (PET) Group High Performance Technologies, Inc. Reston, VA 443-567-8328 (C) 410-278-2692 (O)
