plot of the exciton wave

[davood]

Dear all
We calculated exciton wave with ypp -e w.
___________________________________
wavefunction # [R] Wavefunction
excitons # [R] Excitons
Format= "x" # Output format [(c)ube/(g)nuplot/(x)crysden]
Direction= "123" # [rlu] [1/2/3] for 1d or [12/13/23] for 2d [123] for 3D
FFTGvecs= 7985 RL # [FFT] Plane-waves
States= "9 - 9" # Index of the BS state(s)
Degen_Step= 0.000100 eV # Maximum energy separation of two degenerate states
MinWeight= 0.0100 # Print transitions with weight => MinWeight
% Cells
9 | 9 | 1 | # Number of cell repetitions in each direction (odd or 1)
%
% Hole
6.8 | 0.00 | 17.00 | # [cc] Hole position in unit cell
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1- For plot for 2D and 3D, what is the required number of isovalue in xcrysden and articles?
2- In xcrysden, What should be used to select of ''scale funct" ( linear, log10, sqrt, ...)?
3- what is meaning of isovalue?Usually in articles,what is the required number of isovalue?

thanks

[Daniele Varsano]

Dear Davood,
for all your questions, it is really matter of taste.
Once you have your 3d wave functions, you can choose the way you like more, or you think more appropriate and clear to represent it. There is not a rule! So choose the scale and isovalue you think fit better with the message you want to give. Fixing an isovalue you plot all the point of your 3d wavefunction having that value, in general too big or too low values does not give you much information, but again, it depend on what you want to show.

Cheers,

Daniele

[davood]

Dear Daniele
Thank you for your reply.

Best