[QE-users] Band decomposed charge density plot

RAJNEESH CHAURASIYA (P16PH001) chaurasiya.1 at iitj.ac.in
Tue Jun 22 03:30:53 CEST 2021


Dear Sir/Madam,

I am trying to plot the Band decomposed charge density plot of two bands,
which has 150 kpoints .
*The input file for the same is given below. *

&inputpp
prefix= 'WSe2',
outdir='./tmp/'
filplot='WSe2.dat'
plot_num=7
kpoint(1) = 1
kpoint(2) = 150
kband(1) = 20
kband(2) = 25
/

*Once the pp.x is completed, 900 files are generated.  I am trying to add
the charge density file using the pp file given below.*

&plot
nfile = 900
filepp(1)='WSe2.dat_K001_B020'
filepp(2)='WSe2.dat_K002_B020'
filepp(3)='WSe2.dat_K003_B020'
filepp(4)='WSe2.dat_K004_B020'
filepp(5)='WSe2.dat_K005_B020'
filepp(6)='WSe2.dat_K006_B020'
.
.
.
weight(1)=1.0
weight(2)=1.0
weight(3)=1.0
weight(4)=1.0
weight(5)=1.0
weight(6)=1.0
.
.
..
iflag=3
output_format=6
fileout='WSe2.cube'

*Once this job finished, I found some limitations in espresso like it can
add a maximum of 7 files.*

*Can anyone let me know how I can add many files or any other way to add
charge density files?*

*Regards*
*Rajneesh*
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