Can I ask you a question? I have generate the vasp file using vesta and then in the vasp file notepad I open it was 21 atoms but then I opened it in vesta it about 1000 atoms. Can you suggest me what to do. I do the same as you but then I opened it again it still the same.
Yes this is due to periodicity. If your structure is correct then you can go forward with the same structure. Vesta is just for visualization purposes, and if you are taking unit cell then you have to take the number of atoms per unit cell. Like for BCC we take 2 atoms at positions 0.00 0.00 0.00 0.50 0.50 0.50. But in Vesta you can see 9 atoms (8 at the corner and one in the centre). I hope you are clear... Happy Computing...
@@duafatima6283 This you can do using Boundary option from Objects extend the xmin and xmax then atoms will be added. Also sometimes during optimization the extra atoms started appearing outside of boundary this is also another way of atom addition.
![VESTA Software - Add Vacuum [001] Aluminum Nitride + Doping](/img/n.gif)
thanks ma'am... Very useful
Can I ask you a question?
I have generate the vasp file using vesta and then in the vasp file notepad I open it was 21 atoms but then I opened it in vesta it about 1000 atoms. Can you suggest me what to do. I do the same as you but then I opened it again it still the same.
Yes this is due to periodicity. If your structure is correct then you can go forward with the same structure. Vesta is just for visualization purposes, and if you are taking unit cell then you have to take the number of atoms per unit cell. Like for BCC we take 2 atoms at positions
0.00 0.00 0.00
0.50 0.50 0.50.
But in Vesta you can see 9 atoms (8 at the corner and one in the centre).
I hope you are clear...
Happy Computing...
@@computational_physicist Oh i see thank you for explaining for me
how can you add atoms?
@@duafatima6283 This you can do using Boundary option from Objects extend the xmin and xmax then atoms will be added. Also sometimes during optimization the extra atoms started appearing outside of boundary this is also another way of atom addition.