Skip to content

sametd/CONTCAR_parser

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

3 Commits
 
 
 
 
 
 
 
 

Repository files navigation

CONTCAR parser for VASP

Don't use this for parsing POSCAR file as scaling and cartesian is not implemented. This is a very very simple class that can output CONTCAR to xyz, created for testing some tiny stuff, use with caution.

It is very straight forward just supply the CONTCAR file location in the script.

Example output:

$ python3 read_contcar.py
AtomCount = 192  
Symbols = ['La', 'Li', 'O', 'Zr']  
Counts = [24, 56, 96, 16]  
Cell =  
[[13.021933 0. 0. ]  
[ 0. 13.021933 0. ]  
[ 0. 0. 13.021933]]

Releases

No releases published

Packages

No packages published

Languages