Skip to content

Splitting VASP tajectory XDATCAR to multiple POSCARs at as many points as required.

Notifications You must be signed in to change notification settings

keeeto/SplitXDATCAR

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

4 Commits
 
 
 
 

Repository files navigation

Program : SplitXDATCAR
Author : Keith Butler

Description : Reads in VASP MD trajectory ('XDATCAR') and splits it, printing a POSCAR of a snapshot each 'n' steps. 
Requirements: Python, numpy
Useage : SplitXDAT.py
         Simply edit the SplitXDAT.py file, just change the parameter n at the end of the file

About

Splitting VASP tajectory XDATCAR to multiple POSCARs at as many points as required.

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published

Languages