POSCAR generation

Vasp transition state theory tools

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tarzan11_11
Posts: 11
Joined: Wed Aug 03, 2011 2:08 pm

POSCAR generation

Post by tarzan11_11 »

Hi
Sry for cross posting ..
I just want to know of some software which will help in handling POSCAR/CONTCAR files directly .. help in adding/removing atoms ..
thanks in advance
chill
Posts: 96
Joined: Tue Jul 28, 2009 9:04 pm

Re: POSCAR generation

Post by chill »

ASE is a python module that is able to read and write POSCAR files (and many other formats). ASE provides an atoms object that allows one to do many useful manipulations. Even if you don't know python this should be pretty easy to use. Below are the links to ase and its documentation:

https://wiki.fysik.dtu.dk/ase/
https://wiki.fysik.dtu.dk/ase/ase/atoms ... dule-atoms
https://wiki.fysik.dtu.dk/ase/tutorials ... atoms.html
Dathar
Posts: 3
Joined: Wed Aug 04, 2010 7:11 am

Re: POSCAR generation

Post by Dathar »

Try "Vesta"
graeme
Site Admin
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Joined: Tue Apr 26, 2005 4:25 am
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Re: POSCAR generation

Post by graeme »

also 'vmd'
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