about the use of nebconvergence.pl

Vasp transition state theory tools

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hakuna
Posts: 41
Joined: Sat Oct 29, 2005 12:52 am

about the use of nebconvergence.pl

Post by hakuna » Wed Dec 06, 2017 9:53 am

Dear all:
if nebconvergence.pl tell me:
In 01 ...
497
mv: cannot stat 'vaspout1.eps': No such file or directory
In 02 ...
497
mv: cannot stat 'vaspout2.eps': No such file or directory
In 03 ...
497
mv: cannot stat 'vaspout3.eps': No such file or directory
In 04 ...
......
How to deal with it? which script can generate the 'vaspoutx.eps' ?

by the way, the vtstscripts was unzipped to ~hakuna/bin/vtstscripts-933 and the path was defined in .bashrc as
PATH=~hakuna/bin/vtstscripts-933:$PATH
is it ok?

thanks

graeme
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Posts: 1634
Joined: Tue Apr 26, 2005 4:25 am
Location: University of Texas at Austin
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Re: about the use of nebconvergence.pl

Post by graeme » Wed Dec 06, 2017 2:31 pm

Start by making sure that you have gnuplot installed.

If you do, and you still have problems, you can attach a .tar.gz of the NEB calculation, I will see if something went wrong with it.

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