[QE-users] 2D band surface plot

elchatz at auth.gr elchatz at auth.gr
Fri May 3 09:21:35 CEST 2019


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 <oleksandr.motornyi at polytechnique.edu>:

> 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, elchatz at auth.gr wrote:
>>
>> Quoting Oleksandr Motornyi <oleksandr.motornyi at polytechnique.edu>:
>>
>>> 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 29/04/19 18:12, elchatz at auth.gr wrote:
>>>> 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
>>>>
>>>>
>>>
>>> _______________________________________________
>>> Quantum Espresso is supported by MaX (www.max-centre.eu/quantum-espresso)
>>> users mailing list users at lists.quantum-espresso.org
>>> https://lists.quantum-espresso.org/mailman/listinfo/users
>>
>>
>>
>>
>>
>> _______________________________________________
>> Quantum Espresso is supported by MaX (www.max-centre.eu/quantum-espresso)
>> users mailing list users at lists.quantum-espresso.org
>> https://lists.quantum-espresso.org/mailman/listinfo/users
>
> -- 
> Oleksandr Motornyi
> PhD candidate
>
> Laboratoire de Solides Irradies
> Ecole Polytechnique (Palaiseau, France)



-- 
Dr. Eleni Chatzikyriakou
Computational Physics lab
Aristotle University of Thessaloniki
elchatz at auth.gr - tel:+30 2310 998109



More information about the users mailing list