[QE-users] Isosurface electron density

Rajneesh Chaurasiya rajnano2012 at gmail.com
Wed Apr 11 17:23:04 CEST 2018


Dear QE users,

How to plot a isosurface electron density under spin polarized calculation
for 2D monolayer.
can any one explain in detail.

The input file which i considered for electron density is given below.
&inputpp
prefix  = 'CdO'
outdir  = './tmp/',
filplot = 'Case.charge'
plot_num = 6
/
&plot
nfile = 1
filepp(1) = 'case.charge'
weight(1)= 1.0
iflag = 3
output_format = 5,
e1(1) = 1.0, e1(2) = 0.0, e1(3) = 0.0
e2(1) = 0.0, e2(2) = 1.0, e2(3) = 0.0
e3(1) = 0.0, e3(2) = 0.0, e3(3) = 1.0
x0(1) = 0.0, x0(2) = 0.0, x0(3) = 0.0
nx = 40, ny = 40, nz = 40
fileout = 'CdO_charge_density.xsf'
/

I want to plot isosurface electron density like attached with this mail.

Thank you.

-- 
Thanks & Regards
Rajneesh Chaurasiya
Research Scholar
IIT Jodhpur, India
Mob. No. +91-9584499697
              +91-7610950803
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