Відео

many thanks

please can you make a monolayer VSi2N4

Many thanks for this interesting video!

This is awesome 👍🏾👍🏾👍🏾👍🏾

Hi...this is great stuff. I am starting out with my phd work and this has been very handy. Your work has given me quiet some information to guide me in my research work on surface passivization pf perovskites. As i have gone through some of your work I have a few questions, I noticed a pattern one can use to prepare structures ready for first principles analysis, though I haven't really grasped it well. A suggestion video would be a walk-through on preparing structures for analysis for first principle analysis. Thank you and love your videos

Hey, good presentation, may you suggest me how to make tilt Coincidence site lattice grain boundary for monoclinic structure using VESTA?

Thanks for this great tutorial! Can you please also show how to make different layers of MAPI3 slabs?

How can I obtain silicene monolayer, which is the 2D structure of Silicon, in Vesta. Thank you...

@nickelandcopper5636 Sir, I managed to build a slab model of 2x2x2 supercell of ZnO but I am not sure if it's correct or not. Plz let me know how can I connect with u

Hi sir, can you please share the cif file of g-C3N4. thank you

Sir great efforts, Sir how I can make Fe Mono-layer? kindly guide me from very start, as I'm beginner

Hey, thank you so much! I have one additional question - why is it advantageous to move the slab to the center of the cell?

Thank you sir, make pls Graphene monolayer on (111) surface of perovskite

​ @nickelandcopper5636 ​Thanks for your video. also please make tutorial on "how to change space group". I do not know how to find a rotation matrix

make some vedios how we can make functionalized QD

Thank you so much! i need your help want to make a heterostructure of two different crystal like orthorhombic and cubic for siesta how i can do ?

Very helpful. Could you prepare a video demonstrating modelling of core-shell nanoparticle?

I am trying to build a Cu-MoTe2 system, with Cu as the elctrodes. Can you show how to proceed with this?

Thank you so much for your video! Do you know why choosing a rectangular base for the supercell instead of the one you showed here adds additional strain to the cell?

@nickelandcopper5636 It's a great and informative video. What about the next steps. Like introducing another species of atoms in this structure. please share that information.

Thank you for making these videos! I had a question about the angular momentum terms: for Carbon, for example. If using the STO-3G basis set, the p orbitals have the normalization constant A * x^la * y^lb * z^lc where the last part is the spherical part, and la+lb+lc = L (angular momentum quantum number). for the 2p orbital, la+lb+lc = 1 (-1, 0, and 1). So, would it be correct to assume the terms are the respective spherical harmonics? Also, would they be multiplied instead of added?

Hello, Can you help me about this. I have generate the file for VASP. In the notepad there is about 21 atoms but when I opened it there are about 1000 atoms. Could you see the problem for me. Thank you

Sir can you please make a video on 3D hematite (Fe2O3) to 2D hematene

I am trying to make unit cell for Cu(110) surface. The final structure I am getting is BCC. Can you please verify if its correct? It will be really helpful..

Can you please explain how did you get the rotation matrix?

I have build sucessfully strcuture like you but when I export data in .vasp it not the same like I designed. Can you help me about this. Thank you very much.

Can you please do it for Al2O3 from the beginning with the cif input file. I am getting a problem with it.

Thank you so much for your wonderful tutorial!! It helped a lot. Just one comment, in the scf cycle function, where it reads molecular terms "S, T, Vne, G" should be "S, T, Vne, Vee" I look forward to have amazing new videos soon :)

Can you tell me how to add metal to the surface of this??

Hi, Can you please tell me where I can get a CIF file for MWCNT?

Excellent, thank you!!

How I do with vesta and vasp? Just like you doing?

nice

How do you determine the rotation angle?

I've been searching around for this type of material for so long and see you published this video 3 years ago... Fantatisc material!

how do I form transformation matrix for any plane?

your videos are like an oasis to me. So helpful. Greatly appreciate for everything. Going through every on of your videos and just few are left! Hope you keep uploading your great lectures..

Please make a video on how to make 221 and 331 supercells of orthorhombic system

Can we make heterostructure, using one high density crystalline phase and amorphous phase.

i want to investigate the charge tranfer between metal and.polymer. what type of structure is helpful and how to make it

Sir, is this the ''surface adhesion'' species on a crystal? species or compounds that stick to the surface by adhesion?

Thank you for the excellent lecture. I have created one Quantum dot with the help of Vesta but when I open its (.xyz) file in IQmol, it does not show bonds between atoms. what could be the problem?

There is no twist angle in this moire pattern? only the strain in the upper-layer is generating lattice mismatch and we are getting the moire pattern am I correct please answer.....

Thank you very much for your great video, I have been trying to add hydrogen on the g C3N4 structure along with removing a particular on the ring. but after saving the files, the remove bond reappears. how do solve this? and how to reduce the N-H bond length in that ? i substituted H at the carbon position, but the bonds are not forming. any suggestion sir ?

Great work! I have a question. How can this be a Hartree-fock calculation if the wave function is not a Slater determinant? Where does spin enter?

Hello can you make video to help me for built bilayar of CrX3 monoclinic space c/2m. And each layer contain 4 atoms of cr .

Hello, I'm glad to see this video. Thx for making this I got many help from this. But I have some question about the rotation matrix setup. In your another video, Cu(111) slab, the rotation matrix was set as like this 0.5 0.5 1 0.5 -0.5 1 -1 0 1 but, you set different matrix for Pt(111) even they both are the same FCC structure. I wonder what made this differences and how should I choose the right matrix? Again thank you for your helping, and have a nice day :)

How to calculate the interlayer distance? If I make 6 A0 then I can't measure how to get 6 A0 separation in heterostructures.

For lead halide perovskite how to make crystal structure

I need Bi2Se3 (111) plane. Do I need to delete periodic atoms?