XCrySDen Setup for exciting
In order to allow XCrySDen for displaying exciting input.xml files, you need to perform the operations displayed in the following.
Step 1
Check if XCrySDen is installed on your workstation and if it has been initialized. The latter check can be easily done by typing on your shell window (here, the symbol $ indicates the shell prompt):
ls $HOME/.xcrysden
If the directory $HOME/.xcrysden
is not present , you should initialize XCrySDen by typing
xcrysden
and answer to the question appearing on the screen.
Step 2
Append the following lines to the file $HOME/.xcrysden/custom-definitions
:
addOption --exciting $env(EXCITINGTOOLS)/ex2xsf {
load structure from exciting input.xml format
}
After this modification, you should be able to open an exciting input.xml file directly from the command line executing:
xcrysden --exciting input.xml &