division by zero in xdat2vdat

Vasp transition state theory tools

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vinaykandagal
Posts: 1
Joined: Fri Feb 15, 2013 2:23 pm

division by zero in xdat2vdat

Post by vinaykandagal »

Hi all:

I am new to UT's vasp tools.
I am trying to get velocities from XDATCAR using
xdat2vdat script. But there seems to be division by
zero at line 65.
How can this be resolved?

Regards,
Vinay
graeme
Site Admin
Posts: 2291
Joined: Tue Apr 26, 2005 4:25 am
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Re: division by zero in xdat2vdat

Post by graeme »

Hi Vinay, can you post (or email) the XDATCAR so that we can reproduce this. Actually, a .tar.gz file of the entire directory would be best.
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