[QE-users] QE and BoltzTraP

[Ari P Seitsonen]

Hello,

   If one wants to invest some time into learning a very flexible 
environment, I would go for Jupyter Notebooks, NumPy et co: Not only 
producing vector graphics (.eps for example), it provides the full (ie 
almost unlimited) capacity of Python for processing the data.

     Greetings from Dublin,

        apsi

-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
   Ari Paavo Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
     Ecole Normale Supérieure (ENS), Département de Chimie, Paris
     Mobile (F) : +33 789 37 24 25    (CH) : +41 79 71 90 935


On Thu, 22 Mar 2018, Bramha Pandey wrote:

> GNUPLOT tools is a best for ploting. If you would like to some time spent with GNUPLOT to learn.
> 
> --
> Regards
> Dr. Bramha P Pandey
> Asstt. Prof. ECE Deptt.
> MMM University of Technology, Gorakhpur (U.P)
> India-273010.
> 
> On Thu, Mar 22, 2018 at 1:42 PM, NEELESH GUPTA <rse2017003 at iiita.ac.in> wrote:
>       Dear PWSCF users/experts,
>                                          I have run boltztrap calculations (after nscf
> calculations with dense k mesh in quantum espresso). Now I need to plot electrical, thermal
> conductivities, Seebeck coefficient, figure of merit etc (vs. Temp.) from output files. Now I
> have .trace file with 10 columns in total.  Could you please tell me the procedure of plotting
> them? Which software is good here for plotting?
> 
> 
> 
> 
> 
> 
> Thank you very much.
> 
> 
> 
> Warm regards[IMAGE]
> Neelesh Gupta
> Research Scholar,ECE
> IIIT Allahabad, India.
> 
> _______________________________________________
> users mailing list
> users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
> 
> 
> 
>