This script is made to prepare POSCAR files for workfunction calculation. Objectives :
- Add layers to one direction
- Identify different terminations
- Add vacuum to each termination
Requirments :
- PyChemia
- Numpy
-
Notifications
You must be signed in to change notification settings - Fork 0
petavazohi/Workfunction-prep
Folders and files
| Name | Name | Last commit message | Last commit date | |
|---|---|---|---|---|
Repository files navigation
About
No description, website, or topics provided.
Resources
Stars
Watchers
Forks
Releases
No releases published
Packages 0
No packages published