How to install XCRYSDEN with Wien2k ( experienced )

by **Algerien1970** Sat 6 Jun - 13:15

1/ Download the packahe from this link

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2/ extract the tar.gz file by typing in the terminal

tar -xzvf xc-1.4.1bin-linuxPC-static.tar.gz

3/ cd xc-1.4.1bin-linuxPC-static

4/ Download the file system from this link

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5/ Extract the file and put it inside the folder " xc-1.4.1bin-linuxPC-static "

6/ Type the command

./xcConfigure

7/ Configure as follows:

========================================================================

* * * * XCRYSDEN's Configuration/Setup Utility * * * *

------------------------------------------------------------------------

XCRYSDEN version: 1.4.1

PLEASE FOLLOW THE INSTRUCTIONS DURING THE CONFIGURATION PROCEDURE !!!
=========================================================================

Press <Enter> to continue ...

** After pressing Enter you will see :

Please specify XCRYSDEN_SCRATCH directory (default: /home/reggad/xcrys_tmp): /home/reggad/xcrys_tmp)

Updating profile file /home/reggad/.bashrc ...
OK

I am about to create the $HOME/.xcrysden directory and copy XCRYSDEN
definition/customization files to it. See the XCRYSDEN documentation
for further instructions about XCRYSDEN customization.

Press <Enter> to continue ...

** After pressing Enter you will see :

------------------------------------------------------------------------
Please answer to following QUESTIONS!!!
------------------------------------------------------------------------

CRYSTAL-95/98/03 is an electronic structure program for periodic systems.
(http://www.crystal.unito.it/)

Do you have a CRYSTAL-95/98/03 package ([y]es/[n]o): n

Specify printing command (default: lpr -h): lpr

Do you want to enable the "babel" program ([y]es/[n]o): n

Do you want to enable the ImageMagick's "convert" program ([y]es/[n]o): y
Which image conversion program (default: /app/local/bin/convert):

Do you want to enable the "whirlgif" program ([y]es/[n]o): n

Do you want to enable the "mpeg_encode" program ([y]es/[n]o): n
It is possible to change the setting by modifying $HOME/.xcrysden/custom-definitions file.

8/ after that type in

source ~/.bashrc

NB: To include the option " View Structure " in the w2web interface you have to kill this later and install it again by typing the commands:

* rm -rf ~/.w2web

* w2web
GOOD LUCK