Could you kindly create a video demonstrating the process of creating a heterostructure to run on VASP, highlighting the essential parameters using Material Studio? Please provide a comprehensive tutorial with in-depth explanations. I greatly appreciate your excellent work. Thank you!
Spin multiplicity 1 means, there no unpaired electron , so u can’t get spin density’s. In order to get spin density, you need least one unpaired electron, in triplet state, the spin multiplicity is 3, now you will get one unpaired electron in ir complex. If you want to how to get spin multiplicity please watch this video m.ruclips.net/video/50wgSR5fzdU/видео.html
@@dbinfotech Thank you for the prompt reply explaining spin density to multiplicity value relation. Actually, my question was why do we need to do singlet and triplet for this same compound? how does a multiplicity of a compound become two types? Could you please explain? I also sent you a message on your channel, would you please have a look?
Could you kindly create a video demonstrating the process of creating a heterostructure to run on VASP, highlighting the essential parameters using Material Studio? Please provide a comprehensive tutorial with in-depth explanations.
I greatly appreciate your excellent work. Thank you!
Great work brother,
Thank you sir
Can you make a video on how to find charge density?
We will do.
How to download This software for DFT
search this term in Google: gaussian 09w downloadly, you will get. thank you, Best
www.youtube.com/@dbinfotech , Hi! Could you please explain the spin multiplicity of "Ir" in this molecule and why we need to do 1&3 both? Thank you!
Spin multiplicity 1 means, there no unpaired electron , so u can’t get spin density’s. In order to get spin density, you need least one unpaired electron, in triplet state, the spin multiplicity is 3, now you will get one unpaired electron in ir complex.
If you want to how to get spin multiplicity please watch this video m.ruclips.net/video/50wgSR5fzdU/видео.html
@@dbinfotech Thank you for the prompt reply explaining spin density to multiplicity value relation. Actually, my question was why do we need to do singlet and triplet for this same compound? how does a multiplicity of a compound become two types? Could you please explain? I also sent you a message on your channel, would you please have a look?