WIEN2k in Ubuntu 10.04

[علاونة]

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


How to install and configure Wien2k in Ubuntu

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


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


1.
sudo apt-get install csh
sudo apt-get install build-essential
sudo apt-get install liblapack-dev
sudo apt-get install libblas-dev

2.
tar -xvf WIEN2k_09.tar (skip this if you downloaded files separately)
gunzip *.gz
chmod +x ./expand_lapw
./expand_lapw
./siteconfig_lapw
system: choose V gfortran+gotolib
compiler: gfortran and gcc
lib: R: -llapack_lapw -lblas_lapw -lblas -llapack

3.
./userconfig_lapw
...
...
...
4. source ~/.bashrc

5. w2web -p 7890 ## or port of choice

6. then go to https://localhost:7890/ in firefox or other browser


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.