[Pw_forum] Calculation of DOS at the Fermi energy

[Duy Le]

Did you call pp.x or dos.x?
--------------------------------------------------
Duy Le
PhD Student
Department of Physics
University of Central Florida.

"Men don't need hand to do things"


On Sat, Apr 9, 2011 at 11:05 AM, r s <romeda_8 at yahoo.com> wrote:

> Dear all,
> i want to calculate density of state at fermi energy,
> therefore i use pp.x code with following input file:
>
> &inputpp
>     prefix= 'ccb'
>     outdir= 'root/espresso-4.3/ccb/results',
>     plot_num= 3,
>     filplot= 'dos'
> /
>
> but after running, get following text:
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> from local_dos : error #     1
> guassian broadening needed
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
> why the guassian broadening?!
> i use smearing= 'mp' in my calculations and don't want to use gaussian
> broadening.
> please guide me,
> thanks,
>
> Regards,
> --
> Romeda Azeen,
> Bhavnagar University Bhavnagar 364002 Gujarat India
>
>
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