[QE-users] 2D band surface plot

Giovanni Cantele giovanni.cantele at spin.cnr.it
Fri May 3 09:25:24 CEST 2019


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, 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
> 
> 
> 
> -- 
> Dr. Eleni Chatzikyriakou
> Computational Physics lab
> Aristotle University of Thessaloniki
> elchatz at auth.gr - tel:+30 2310 998109
> <pp_in.txt><KPOINTS.txt><band.png>_______________________________________________
> 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

-- 

Giovanni Cantele, PhD

CNR-SPIN
c/o Dipartimento di Fisica
Universita' di Napoli "Federico II"
Complesso Universitario M. S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy

e-mail: giovanni.cantele at spin.cnr.it
            gcantele at gmail.com
Phone: +39 081 676910
Skype contact: giocan74
Web page: https://sites.google.com/view/giovanni-cantele

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20190503/4db8355e/attachment.html>


More information about the users mailing list