[Pw_forum] Shifting Fermi energy for Fermi surface calculations

[Nicki Frank Hinsche]

Dear Paolo, Eyvaz, Haruhiko

thanks for your effort. The description of Paolo and Haruhiko solved  
my problem...

> input_FS is the file containing input data for the program (written
> by Eyvaz)
> that calculates the Fermi surface, given the band structure
> calculated in a
> previous run, IIRC. That code requires in input the Fermi energy (it
> might
> read it from the bands data, but apparently it doesn't). If this is
> your problem:
> you can change the Fermi at will, since the band structure is fixed.
>
> You can change the Fermi energy in a self-consistent way by adding or
> removing
> charge to the system (variable "nelec"). This will modify the band
> structure wrt the
> neutral case, but not by much if you add or remove just a fraction of
> an electron.
> The code will take care of adding a neutralizing background (needed
> in order to
> have a finite value of the energy).

right now, christmas can start. Relaxing days to all of you!

Best regards, Nicki.