Dear Riya:
No, the program does not shift the Fermi energy to zero.
You have to do it by yourself. You can do it very easily at the time of
plotting your results, or modifying the code written by Andrei to perform a
rigid shift.
The value of the Fermi energy can be found in the output file or in the first
line of the file .bands (in case you are computing them).
Best regards,
Javier
> El 8 oct 2018, a las 11:09, Riya Rogers <rogers.riy...@gmail.com> escribió:
>
> Dear All,
>
> I am calculating DOS of my system using the Andrei Postnikov method (given in
> tutorial below) :
>
> http://personales.unican.es/junqueraj/JavierJunquera_files/Metodos/Structuralproperties/PDOS-SrTiO3/Exercise-PDOS-SrTiO3.pdf
>
> <http://personales.unican.es/junqueraj/JavierJunquera_files/Metodos/Structuralproperties/PDOS-SrTiO3/Exercise-PDOS-SrTiO3.pdf>
>
> I have a doubt that whether this method gives the DOS with fermi
> automatically shifted to zero?
>
> or
>
> Do we have to manually shift fermi to zero?
>
> Please tell me how to get DOS with fermi shifted to zero, I will be highly
> obliged.
>
> Thanking you
>
> Regards
> Riya
>
>
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Javier Junquera
Profesor Titular de Universidad
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Facultad de Ciencias
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