Building Supercell & adding Vacuum

[@bee_in_Korea]

very very informative ...... I have watched many videos on youtube on vesta but your video is very clear and understandable .... thank you very much !!

[@khanfaizan8229]

Thank you sir, marvellous session👌👌👌

[@deerghshahi5944]

I am really impressed from your vedio. Please could make monolayer and bilayer of CoTe2.

[@ammyazr1001]

For any type of unit cell we have to delete the atoms from a& b side? As we add vacuum to the z direction.

[@DnyaNiPhysicsWorld]

No, you don't need to delete atoms from the a- and b -sides when adding vacuum in the z-direction. Deleting atoms depends on the system you're modeling: 1. Bulk Unit Cell: No deletion is needed; vacuum isolates periodic images in z-direction only. 2. Surface/Slab: Cleaving along a crystallographic plane may require adjustments, but atoms on a- and b -sides are typically retained unless excess atoms distort the slab. 3. Nanostructures: For nanoribbons or nanowires, truncation in a- and b may be necessary for desired size/shape but unrelated to vacuum. Ensure vacuum thickness (e.g., 10-20 Å) is enough to prevent interactions, and maintain structural integrity in a- and b unless specific changes are needed for your study.

[@deerghshahi5944]

Could you please make Td-Monolayer of WTe2 by vesta.

[@bee_in_Korea]

i have a doubt. I want to make 111 CeO2 supercell. So should i first make slab from unit cell and then make supercell from the slab or first make supercell and then make slab from it ? which way i should follow ?

[@DnyaNiPhysicsWorld]

Both approaches can work, but the choice depends on your specific needs. If you need to control the size and shape of the supercell more precisely, creating a supercell directly may be more suitable.

[@Artavazd.kirakosyan]

why 52? it was a 56....