[QE-users] planar average electrostatic potential in c direction for a 2D material

[Barsha Pal]

Hello,
I am trying to plot the planar averaged electrostatic potential along z, I
have run scf , pp.in but in the average.x step I am facing trouble. I have
used:
&INPUTPP
    outdir    = "path/tmp/"   ! prefix used in pw.x
    prefix    = "name"    ! outdir used in pw.x
    filplot   = "V.dat"  !intermediate file- NAME OF FILE TO FILL
    plot_num  = 11   ! the V_bare + V_H potential  (ionic + hartree)
/
&plot
    nfile     = 1
    iflag     = 3
    output_format = 5
    fileout   = "V_plane.dat"
    e1(1)=1.0, e1(2)=0.0, e1(3)=0.0   !x axis__one lattice unit along x,
nothing along y or z.
    e2(1)=0.0, e2(2)=1.0, e2(3)=0.0   !y axis__one lattice unit along y,
nothing along x or z.
/  what should be my average.x input look like ? I have read the source
code plan_avg.f90, I did not understand it. Please help, also if I am doing
the steps wrong let me know.

Ashley Cooper
Phd
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