Solution LAB3 hBN: Difference between revisions
Jump to navigation
Jump to search
No edit summary |
No edit summary |
||
| Line 2: | Line 2: | ||
Now we do have two non-equivalent atoms | Now we do have two non-equivalent atoms | ||
*If you do not have already done, git pull the LabQSM repository to get the Boron pseudo-potential | *If you do not have already done, git pull the LabQSM repository to get the Boron pseudo-potential | ||
*Use the same input used for graphene | *Use the same input used for graphene inserting the two non-equivalent atoms | ||
*Relax the cell as before | |||
Revision as of 15:39, 1 April 2021
- Back to the previous page: Electronic properties of 2D and 1D systems#Exercise 2: Hexagonal Boron Nitrite (hBN)
Now we do have two non-equivalent atoms
- If you do not have already done, git pull the LabQSM repository to get the Boron pseudo-potential
- Use the same input used for graphene inserting the two non-equivalent atoms
- Relax the cell as before