@hb8540
Thanks for the nice tutorial. A basic question about far software: How to select the column (@ 7:16). Also to input the file you made at the end to QE, should we choose ibrav = 0 ? Also some people make the vaccuum up and down (the monolayer for example in the middle) which should be equivalent to the vaccuum you did. How to to do that in vesta? I saw people doing that using burai
@MrNeeess
How would you do it if you wanted to add vacuum on both sides in the direction? So that the structure would be in the middle of the unit cell
@jabeddh
How to make a 2D periodic cell by adding vacuum in (111) direction?
@abraraminkhan1384
hey, I am currently working on supercapacitors for which i have a create a model of electrolytes confined between two electrodes. electrode material would be grpahene and any metal oxide composite. Can i use Vesta to model the whole system? what do you recommend?
@josephkaore5809
Why can't you just create a supercell then open the supercell using vi-editor and add a vacuum in the desired direction?
@shaheengulshanah448
can you please do the same for SnO2? It will be really helpful.
@si19da21
Sir can ZnO and Ti heterostructure can be created
@dimashd8256
Thank you for making a wonderful lecture video. Could you guide me on the following. If I am to use this structure for surface calculation in quantum espresso, could I use the cell parameters and coordinates from this as input file for quantum espresso. Or does some modification is needed for atomic position. Thanks
@sraddhaagrawal2714
Hi, can you please help me with building a non-integer supercell of a 2D material? Something like 1.5x1.5x1. I am facing some issue with the periodic boundary images. Atoms get duplicated, which is not the case in integer supercells.
@omermutasim1200
very useful. For quantum espresso input file , can i use the vasp file directly without deleting atoms (second procedure) ? or i have to follow the first procedure you mentioned i.e. deleting atoms, then save xyz file then vasp file ?
@vivekpendharkar5152
Hi, could you please help me with modelling a stacking fault in Ni(FCC) super cell?
@mustafaaeea2722
Thank you for your wonderful work. I am learning it. if I have to make an interface Al (101)//Al2o3(01110). How to adjust lattice mismatch along c axis and how I use it as a saving data file for Lammps simulation. Thanks Please
@gabrielvinicius9855
Thanks for sharing such a nice tutorial - appreciate it. A quick question: Does the order in which you introduce the vacuum matter? I mean, you introduced the vacuum layer from the unit cell. Could you first make a 111 structure out of your unit cell and then introduce the vacuum? Thank you in advance :-)
@sherifdeenbolarinwa3296
Hi, thank you for the videos. I am new to crystal structure manipulations and computational physics as a whole. I am trying to lay my hand on various crystal building examples. I am currently working on PtSe2 and I am unable to proceed as my structure is not similar to what's obtainable in literature. More importantly how to export these coordinates for QE calculations. Thanks in advance
@zhl4545
How do I know which atoms to remove in other surfaces? For example I was trying to make a supercell using the gold 111 surface according to your previous video and it turns out that the c/b view has a different uniform structure than the c/a view and when I tried to delete only the first column of atoms from the right according to the video here, the resulting structure is wrong. Btw thanks for the tutorial :)
@salmamoussadeq9074
thank u soo much but i can't find cif file for Ag 100
@davidansi1683
Thanks for the video. How can i know if my cell violates the periodic boundary condition? You said the same set of atoms at one side is the same at the other side. Did you know that from the GUI? I'm a beginner
@omermutasim1200
How can i create supercell:sqrt(3) X sqrt(3) X 1 transformation to my unit cell using VESTA ?,
@y3rzhan
rhombohedral unit cell users: WASTED
@suwathaav7706