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
_______________________________________________________________________________
The Quantum ESPRESSO Foundation stands in solidarity with all civilians
worldwide who are victims of terrorism, military aggression, and indiscriminate
warfare.
--------------------------------------------------------------------------------
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
