you should provide the input file of the nscf calculation to figure out if
something strange is happening
Giovanni
> On 30 Apr 2019, at 08:50, elch...@auth.gr wrote:
>
>
> Quoting Oleksandr Motornyi :
>
>> Hello Eleni
>>
>> Could you please provide an input as well as the strange outputs? It
Dear Oleksandr Motornyi,
If you mean for the energy, I am around the fermi level, but not
exactly there.
If you mean for ky, it is the result exactly as I got it from the .dat file.
Regards,
Eleni
Quoting Oleksandr Motornyi :
What does look strange to me is scale on your plot. SCF
What does look strange to me is scale on your plot. SCF in/out files
would actually be more helpful here as so far we have little idea about
your system.
Oleksandr
On 30/04/19 08:50, elch...@auth.gr wrote:
Quoting Oleksandr Motornyi :
Hello Eleni
Could you please provide an input as
Hello Eleni
Could you please provide an input as well as the strange outputs? It is
hard to give any advice or example without knowing what are you dealing
with exactly.
Regards,
Oleksandr
Oleksandr Motornyi
PhD
Laboratoire des Solides Irradies
Ecole Polytechnique (Palaiseau, France)
On
Hello everyone,
Do you have an example with a grid used for 2D surface plot in
bands.x? I am getting some really strange output.
Regards,
Eleni
--
Dr. Eleni Chatzikyriakou
Computational Physics lab
Aristotle University of Thessaloniki
elch...@auth.gr - tel:+30 2310 998109
