- Priority 1:
- Get indirect band gap in
vasplib.analysis.bandstructure - Add features to
vasplib.analysis.bandstructure: ispin, occupancy
- Get indirect band gap in
- Proirity 2:
- Read files of non-VASP format in
vasplib.core.structure - Add the test case of
vasplib.output.chgcar - Read velocity from
POSCAR/CONTCARfiles - Add features to
vasplib.analysis.bandstructure: orbital peojection
- Read files of non-VASP format in
-
Notifications
You must be signed in to change notification settings - Fork 0
LeiLiu8102/vasplib_py
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