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chgsum.pl cannot be downloaded

Posted: Sat Jun 21, 2014 3:19 pm
by adam2412
Hello,
I'm new with Bader analysis and has been trying to download chgsum.pl in order to add both AECCAR0 and AECCAR2. However, as I click the chgsum.pl link, the 404 error is obtained. Am I doing it correctly? I am using Windows 8

Re: chgsum.pl cannot be downloaded

Posted: Sat Jun 21, 2014 4:02 pm
by graeme
We are doing away with downloading of individual scripts. They work together, so if you download just one, it may not work. Instead, you can follow the directions on this page:

http://theory.cm.utexas.edu/vtsttools/download.html

Re: chgsum.pl cannot be downloaded

Posted: Sat Jun 21, 2014 9:42 pm
by adam2412
Thank you...I get the idea of how to install and to use it now.

Re: chgsum.pl cannot be downloaded

Posted: Sat Jun 21, 2014 10:25 pm
by adam2412
I'm sorry. I just tried and I don't think that I have understand on how to do it clearly. I have downloaded the script : vtstscripts.tgz and uncompiled it in C:\. And then I tried to run by cmd : ''chgsum.pl AECCAR0 AECCAR2'' and received this error '' 'chgsum.pl' is not recognized as an internal or external command.... ''. Then I tried to do like how I used to do it before ''perl chgsum.pl AEC....'' with perl env but still get the same error. I tried ''bader CHGCAR'', also got the same error. I read through the website again and it says something about installing the code into the VASP.

Before this, I can do BADER analysis but with this new application, I don't know how. I'm stuck. I don't know which part I did wrong.

Re: chgsum.pl cannot be downloaded

Posted: Sat Jun 21, 2014 10:51 pm
by graeme
This may be a little difficult if you are using windows; I'm not sure how you have setup perl there. If through cygwin, it might work automatically, but if not, you might have to run "perl chgsum.pl AECCAR0 AECCAR2" and make sure that the perl executable is in your path.