[QE-users] How one can get phonon dispersion and phonon linewidth along high symmetry path in a single plot

[Sahil Dani via users]

Dear all,

I am doing superconducting calculations using QE v7.0 and have successfully
generated output files. As gam.lines file contains the line width of each q
point for each broadening.  So I want to plot filename.freq.gp and
gam.lines files together along high-symmetry path in Gnuplot.
Can anyone help me with the script or let me know how to get the desired
plot?

Thank you.

Regards
Sahil Dani
Research Scholar
IIT Ropar INDIA
-- 
*Sahil Dani*
*>JRF| Experimental Condensed Matter Physics*
*>TGraMS Lab *
*>**Department of Physics*  *| Indian
Institute of Technology Ropar *

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[QE-users] [Webinar] Developing an “Alpha Fold" for Materials Science

[Dr.Mosab Banisalman]

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Re: [QE-users] How to determine the ei(i) and x0(i)

[Lorenzo Paulatto]

I already based with PP/examples/ but I didn't understand how they set
ei(i) and x0(I) and nx and nx parameter on example01 and example03.



Dear Imane, these option allow you to do a plot in the plane (aka 
rectangle) that has as four vertices


x0

x0+e1

x0+e2

x0+e1+e2

You have to choose it to be parallel to the surface and at a certain 
distance from it, depending on the STM characteristics. I guess there 
could be more information on how to choose this distance in the paper.


regards






Best regards.
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Dr. Lorenzo Paulatto
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[QE-users] How to determine the ei(i) and x0(i)

[imane BEZZAOUI]

Dear QE developers

I would plot the STM image 2D (iflag=2)  using pp.x and I would like
to plot it with plotrho.x (output_format=2) so is necessary to set the
ei(i) and x0(I) and nx and nx.

I already based with PP/examples/ but I didn't understand how they set
ei(i) and x0(I) and nx and nx parameter on example01 and example03.



Best regards.
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Re: [QE-users] Error Installing KGEC

[Paolo Giannozzi]

On 01/02/2023 11:40, Mr. Sheharyar Pervez RA FES wrote:


gfortran: error: all: No such file or directory
gfortran: error: unrecognized command line option ‘-warn’; did you
mean ‘--warn-’?


you have the problem and the solution here
--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216
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