علاونة
2015-09-02, 19:33
##The following is an edited version of instructions given by http://xinhuolin.web.officelive.com/Wien2kinUbuntu.aspx
How to install and configure Wien2k in Ubuntu
Download from http://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 http://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.
How to install and configure Wien2k in Ubuntu
Download from http://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 http://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.