el-abed haidar
el-abed haidar
Thank you very much @pfebrer for the help. I am eager to test the new software. I successfully installed viz where i can see it clearly in my home directory....
Thank you very much for the quick reply. I followed the more suitable advice which is working right now. I assume first that i=4 means the wave function number 4...
@pfebrer thank you very much for the reply. 1- Concerning your suggestion here `wfgrid = plot.grid wfgrid.geometry = sisl.Geometry.new("zeroPG.XV") wfgrid.write("wf.cube")` The code did not show any error. However, the final...
Here are the files(fdf, H, .ion and XV) [sisl.zip](https://github.com/zerothi/sisl/files/5841323/sisl.zip)
Yes you will get that error because you need to use my fdf :) So you need to say sisl.get_sile(""0.158_P_G.fdf"").plot.wavefunction(i=4, k=(0,0,0))
1- @pfebrer I should be more clear, when i used sisl.get_sile(""0.158_P_G.fdf"").plot.wavefunction(i=4, k=(0,0,0)) I got no error whatsoever. 2- @zerothi Thank you for the reply. I am using Siesta Version :...
@zerothi @pfebrer Hello again! When i used the following command: `plot = sisl.get_sile("158PG.TSHS").plot.wavefunction(i=4, k=(0,0,0))` I got the following error: **The plot has been initialized correctly, but the current settings were...
The entire error is: **The plot has been initialized correctly, but the current settings were not enough to generate the figure. (Error: wavefunction: Cannot create wavefunction since no atoms have...
[158PGtshsfile.zip](https://github.com/zerothi/sisl/files/5852768/158PGtshsfile.zip) Here you go the TSHS file in zip format. Let me know how it goes
Oh! So I will have to start using Jupiter to be able to see what is going on more clearly. @zerothi Thank you! will have a look when I can....