XCrySDen Setup for exciting

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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 modifications, you should be able to open an exciting input.xml file directly from the command line executing

$ xcrysden --exciting input.xml &

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