IBO VIEW: (www.iboview.org/) WHAT IS IT? HOW TO GET IT? HOW TO USE IT? WHY WOULD I USE IT? ORCA WITH IBOview orca_2mkl.exe file_name -molden
Пікірлер: 18
@HenriqueCSJ8 жыл бұрын
This software is one of my favorites and the developers are very kind. I'm sure they'll love your video (drop them a line!).
@ZainYMijbil3 жыл бұрын
I just wanna thank you indeed, I have seen many papers using this code but could not figure out which one till I come cross your brilliant videos. THANKS
@kevinender54094 жыл бұрын
I love this program, it's sooo beautifull !!!
@ARBB14 жыл бұрын
What a cool little program.
@avniberisha46187 жыл бұрын
How can I visualize Gaussian output .log (using Gaussian in Windows) , saw they mentioned Molden, but is there another way directly to visualize the output. Here is an input that I tried: # b3lyp/cc-pvdz geom=connectivity gfinput iop(6/7=3) Title Card Required 0 1 C -7.06567119 -1.34288613 0.00000000 C -5.67051119 -1.34288613 0.00000000 C -4.97297319 -0.13513513 0.00000000 C -5.67062719 1.07337387 -0.00119900 C -7.06545219 1.07329587 -0.00167800 C -7.76305319 -0.13491013 -0.00068200 H -7.61543019 -2.29520313 0.00045000 H -5.12100319 -2.29539913 0.00131500 H -3.87329319 -0.13505513 0.00063400 H -5.12042719 2.02551687 -0.00125800 H -7.61557419 2.02557687 -0.00263100 H -8.86265719 -0.13472713 -0.00086200 1 2 1.5 6 1.5 7 1.0 2 3 1.5 8 1.0 3 4 1.5 9 1.0 4 5 1.5 10 1.0 5 6 1.5 11 1.0 6 12 1.0 7 8 9 10 11 12
@TheBondChem2 жыл бұрын
great vid :)
@sourav35414 жыл бұрын
Please help me dealing with Gaussian output file to this software..I couldn't find a way to draw and it's very frustrating..🙄
@abdulmujeebonawole36088 жыл бұрын
I tried installing IboView but I get the error-"Failed to compile GLSL shader: OpenGL says for file ':/shader/vertex5.glsl': WARNING: 0:1: invalid profile specified ERROR: 0:2: 'precision' : syntax error syntax error"I would be glad to get some help
@dheerajsinghchauhan69602 жыл бұрын
Thank you for this tutorial video. I am using RHF SP def2-SVP for a molecule. Also tried B3LYP def2-SVP. it does create the molden.input file. But I cannot view it in IboView. Error: Unexpected format: 'expected '[Molden Format]'. Orca Version: 3.03. OS: Windows 10. The calculation is successful every time as I can view the orbitals in Avogadro. Appreciate any help.
@Organicarivu2 жыл бұрын
You can use the recent version of ORCA 5.0.3. It's working for me. There is one video available on youtube
@dheerajsinghchauhan69602 жыл бұрын
@@Organicarivu Thank you for the help. Version 4.28 works for me.
@zakirullah51763 жыл бұрын
I have downloaded the program but not able to install it. Please can you show the installation process? Thank You
@TheBondChem2 жыл бұрын
I have an iboview tutorial on my channel that shows the installation, if you're interested :)
@aminnaifar44422 жыл бұрын
Thank you very much please could you help us with more vidéos of calculations
@maryamdaneen71902 жыл бұрын
How to run this program in linux
@DrStefanSchramm8 жыл бұрын
Can the program read *.out and *.cube files from gaussian?
@IaNiusha8 жыл бұрын
+TheStefanSchramm Nope. But you can generate a molden file automatically from inside gaussian and it will contain all the same info as your gaussian output. Check out section 3 from here: www.iboview.org/_bldUPAt.html
@gauravjoshi81945 жыл бұрын
@@IaNiusha did you try that? I am unable to do so.