The H atom

Basically we can follow the same steps as for the Tl atom, but in this case we will start with Tl_SO.adf file and change this.

Select the ADFinput window with the name 'Tl_SO.adf.
Select 'Main Options' from the Menu on the right hand side.
Enter the name 'H spin-orbit coupled' in the 'Title' Menu'.
Press and hold the Right mouse button on the Tl atom.
Select 'Change atom(s) type' ('Type') from the pop-up Menu, and Click on 'H'.
Select 'Save As' from the 'File' Menu'
Enter the name 'H_SO' in the 'File Name' field.
Click on 'Save'.
Select 'Run' from the 'File' Menu.
Wait until ADFtail shows 'Job ... has finished' as last line
In the window showing the logfile (the ADFtail window H_SO.logfile):
Select the 'Quit' command from the 'File' menu

 

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