[DFTB-Plus-User] Errors in installation of DFTB+

[Bálint Aradi]

Dear Chandigarh,

I assume, you are working on a 64 bit Linux system. (If you are not sure
about that, please ask the guy who had set up your system or who is
adminstrating it). You should do then the following:

1) go to the DFTB+ website, log in, go to the Download page for DFTB+1.2
and click the link "executable x86_64-linux".

2) Go to the folder, where you or your browser stored the downloaded
content. You must find there a file called dftbp_1.2.2.x86_64-linux.tgz

3) Extract this file by issuing

tar -xvzf dftbp_1.2.2.x86_64-linux.tgz

You will then find a file dftb+_1.2.2.x86_64-linux in the same folder

4) Move this file into your ~/bin directory and rename it into dftb+ by
issuing

mv dftb+_1.2.2.x86_64-linux ~/bin/dftb+

After that, you should have a file called dftb+ in your ~/bin folder

5) Go now to the directory, where your DFTB+ input is (the one with
dftb_in.hsd). Issue there the command

~/bin/dftb+ | tee output

Alternatively (if the ~/bin directory is defined in your PATH
environment variable)

dftb+ | tee output

may work as well. This runs DFTB+, shows you the output and stores it at
the same time in the file "output" in the same directory.

I hope this helps. Please understand, that I hardly can provide more
detailed information about how to get DFTB+ running than above. Running
the code assumes some basic knowledge about handling a Unix operating
system. If you are new to Unix/Linux, there are a lot of nice
introductions on the web (just google it). Alternatively you
could/should ask the people in your working group, I am sure you will
find someone with Linux-experience.

  Best regards,

  Bálint

-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b_aradi/


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