[xcrysden] dimensions of the Δn(r) and V parameters

[Мищенко В.Н.]

Good afternoon,

I would like to ask a question related to the dimensions of the Δn(r) 
and V parameters, which appear in the XCrySden program (version 
xcrysden-1.5.60-bin-semishared) on the Print thermometer image panel 
during postprocessing using the file diam8A.pbe.pot.in in the pp.x 
program in Quantum Esspreso (version 7.4.1). Attached is the scf.in 
input file for my structure, as well as a photocopy of the thermometer 
panel with the digital data. To obtain charge distribution and total 
potential images, I use the   .xcf file obtained using Quantum Esspreso, 
but I did not find any data on the dimensions of the above parameters in 
this file.

Could you advise me on a possible solution to this problem?
Sincerely,

Valery Mishchenko

PhD, BSUIR
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&inputpp
prefix='diam'
outdir='./'
filplot= 'diam8A-22022026-plot0.pbe.pot',
plot_num=0
/
&plot
nfile=1
filepp(1)='diam8A-22022026-plot0.pbe.pot'
weight(1)=1.0
iflag=3
output_format=3
e1(1)=0.00, e1(2)=0.0, e1(3)=0.0
e2(1)=0.0, e2(2)=0.00, e2(3)=0.0
e3(1)=0.0, e3(2)=0.0, e3(3)=3.35
x0(1)=-0.40, x0(2)=0.20, x0(3)=0.0
nx=50, ny=50, nz=50
fileout='diam8A-22022026-plot0.pbe.pot.xsf'
/
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 &control
    calculation     = 'scf'
    prefix          = 'diam'
    verbosity       = 'low'
    pseudo_dir      = './'
    outdir          = './'
 !   tprnfor         = .true.
 !   tstress         = .true.
 /
 &system
    ibrav           = 0
    celldm(1)       = 6.64245
    nat             = 23
    ntyp            = 1
    ecutwfc         = 50
    ecutrho         = 300
    occupations     = 'smearing'
    smearing        = 'mp'
    degauss         = 0.01
    nbnd            = 160
!    lspinorb        = .true.
!    noncolin        = .true.
 /
 &electrons
    diagonalization = 'david'
    mixing_beta     = 0.7
    conv_thr        = 1.0d-10
 /
ATOMIC_SPECIES
  C  12.011 C_ONCV_PBE-1.2.upf
CELL_PARAMETERS (alat=  6.64245000)
   1.118450580   0.005398649  -0.078214151
  -0.032591306   1.280343565   0.160551462
  -0.352716649   0.229874779   3.355330044
ATOMIC_POSITIONS (alat)
C               -0.0219466381        0.2439483977        0.1363231014
C               -0.3342622004       -0.1957773354        1.2088426549
C               -0.2354867341        0.8402251883        1.0896947065
C                1.0004896850        1.1518498989        0.0302611141
C                0.2393868857        0.6883296299        0.5998860114
C                0.8012925975        0.4725501394        0.1756592015
C                0.2726761360        0.3002605936        1.1846629103
C                0.5209386230        0.0433259949        0.5731373435
C                0.6601885201        0.9452708441        0.6498711542
C                0.9582764375        0.8400957743        0.3384257764
C                0.3725158996        0.3555020548        0.3253817439
C                0.5212665001        0.0729939798        0.9596946592
C                0.0905917630        0.5933500059        1.0013934949
C               -0.1715681943       -0.0626169841        1.5696107401
C                0.1700446319        0.1174639974        1.5483572833
C                0.3960147445        0.0654032786        1.8857859244
C                0.2416494289        0.0417794955        2.2549058137
C               -0.1425041781        0.0099747821        2.2819593435
C               -0.3462667320       -0.0254585071        1.9378707510
C                0.4385691221        0.0487512116        2.5977173309
C                0.3019963079        0.0776619664        2.9755988145
C               -0.1004838454        0.0566630784        3.0046324405
C               -0.2891513921        0.0336146104        2.6486091439
K_POINTS automatic
6 6 6 0 0 0