How to install WIEN2k in Ubuntu 10.04

## The following is an edited version of instructions given by http://xinhuolin.web.officelive.com/Wien2kinUbuntu.aspx

Download from http://www.wien2k.at/index.html and save .tar file in a local directory (ie. home directory ~/wien) 

 

 0. Delete the previous version

 

 rm -rf ~/.w2web     ## this is only necessary if you have attempted a previous install

 

1.  Prerequisites

 

sudo apt-get install csh
sudo apt-get install build-essentialsudo apt-get install liblapack-dev
sudo apt-get install libblas-dev

 

2. Unpack the compressed package

 

tar -xvf WIEN2k_09.tar    #   (skip this if you downloaded files separately)
gunzip *.gz

 

 3. Give autorization to expand script

 

chmod +x ./expand_lapw

 

 4. Run

 

./expand_lapw

 

 

5. Run

 

./siteconfig_lapw

system: choose V gfortran+gotolib
compiler: gfortran and gcc
lib: R: -llapack_lapw -lblas_lapw -lblas -llapack

 

 6. Run

 

./userconfig_lapw

 

 

7. Source the ~/.bashrc file

 

source ~/.bashrc

8. Configure the graphical interface w2web 

 

w2web -p 7890      ## or port of choice

9. then go to link  in firefox or other browser

 

http://localhost:7890/

remember, the first time you do w2web, just press enter. Don't change the default user name and password. change them after you first set it up.

Reference:  https://sites.google.com/site/jamesanalytis/wien2k-in-ubuntu-10-04