[QE-users] pp.x: iflag=1 for the plot_number=0

Aleksandra Oranskaia aleksandra.oranskaia at kaust.edu.sa
Mon Dec 12 17:22:38 CET 2022


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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