You need to specify: iflag=1, output_format=0, then e1(:), x0(:), nx.
You get the (pseudo-)charge along a line from x0(:) to x0(:)+e1(:)
Paolo
On 12/12/2022 17:22, Aleksandra Oranskaia wrote:
Dear users and developers,
Is it possible to plot 1D-distribution of the charge density with pp.x?
Looks like for plot_number=0 ifrag cannot be anything than 3.
With the following input only myinput.rho is generated.
(I tried the latest QE version.)
&INPUTPP
prefix = myinput
filplot = myinput.rho
plot_num = 0
/
&PLOT
nfile = 1
filepp(1) = myinput.rho
iflag = 1
e1(1) = 0, e1(2) = 0, e1(3) = 1 ! z-direction along the cell
x0(1) = 0, x0(2) = 0, x0(3) = 0 ! origin
nx = 500
fileout = myinput.1d-rho
/
Thank you for any comment/suggestions/help!
--
Best wishes,
Al, phd candidate in chemical sciences
'I.. a universe of atoms, an atom in the universe' (Richard P. Feynman)
https://cpms.kaust.edu.sa/
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people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
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--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216
_______________________________________________
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
