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POSCAR generation
Posted: Thu Aug 25, 2011 9:44 am
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
Re: POSCAR generation
Posted: Thu Aug 25, 2011 7:56 pm
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
Re: POSCAR generation
Posted: Wed Sep 07, 2011 2:42 pm
by Dathar
Try "Vesta"
Re: POSCAR generation
Posted: Thu Sep 08, 2011 1:15 am
by graeme
also 'vmd'