/SplitXDATCAR

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

Primary LanguagePython

Program : SplitXDAT_npt.py  
Author: zdcao  

Descrpition: The origin program only supports for reading the VASP MD trajectory in the NVT simulation, but 
             this program is written for the same purpose in the NPT simulation.


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