Thank you for the informative video. Just a question :have you any idea on how to put CO molecule on graphene monolayer (using vesta )to study for example the absorption of CO molecule by graphene.
Helpful, thanks I have a question: How to cut half of unit cell using vesta and then save it as VASP file? I’m asking because i’m reproducing DFT paper , and they only consider half unit cell of Ni5P4. Please help me
we can use this for simulation of material properties in the simulation codes like quantum espresso wien2k and VAssp. and this can also be used for the visuallization of graphene which is allotrophic form of carbon like graphite and diamond.
Thank you for the informative video. Just a question :have you any idea on how to put CO molecule on graphene monolayer (using vesta )to study for example the absorption of CO molecule by graphene.
what about others structurs like cubic for exemple; it is not the same
Yes search cubic crystal structure with veata in the videos section of this channel you will find cubic and hexagonal crystal structure.
i think you made a zigzag graphene structure ! please be specific in your tittle
Helpful, thanks
I have a question: How to cut half of unit cell using vesta and then save it as VASP file?
I’m asking because i’m reproducing DFT paper , and they only consider half unit cell of Ni5P4.
Please help me
When i tried” Transform unit cell” by setting c to 0.5 , then saved it , I found it saved the original number of atoms !!
can u explain the use of this monolayer build?
for eg.
what kind of study we can do with this monolayer in vesta
we can use this for simulation of material properties in the simulation codes like quantum espresso wien2k and VAssp. and this can also be used for the visuallization of graphene which is allotrophic form of carbon like graphite and diamond.
hello how can i do something similar but with silicon atoms to get silicene?
I believe you should obtain sillicene crystal structure from XRD analysis, then you will know which parameters to use
no volume