using chgsum.pl

Vasp transition state theory tools

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raji
Posts: 2
Joined: Mon Nov 02, 2009 6:50 am

using chgsum.pl

Post by raji »

I have downloaded the vtstscripts.tar.gz and unzipped. Then defined the path in .bash_profile.
Tried to sum the 2 charge density files using the chgsum.pl script using the command
chgsum.pl (AECCAR0) (AECCAR2) (fact1) (fact2)
I got the error,
bash: syntax error near unexpected token `AECCAR0'

Any one can help me in this regard.

Thanks in advance
graeme
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Joined: Tue Apr 26, 2005 4:25 am
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Re: using chgsum.pl

Post by graeme »

Do you have perl installed? If you try running the chgsum.pl script without any arguments, do you get an error message that looks like this:

usage: chgsum.pl <CHGCAR1> <CHGCAR2> <fact1> <fact2>

Actually, now that I look at your message, it could be a simpler problem. Try this command:

chgsum.pl AECCAR0 AECCAR2

without the brackets.
raji
Posts: 2
Joined: Mon Nov 02, 2009 6:50 am

Re: using chgsum.pl

Post by raji »

If i use the command chgsum.pl AECCAR0 AECCAR2
output is,
Can't open file No such file or directory at /root/SOFTWARES/vtstscripts/chgsum.pl line 6.
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