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Getting started with DALTON

In this chapter we give an introduction to the two input files needed for doing a calculation with the DALTON program, as well as the shell script file that is supplied with the program for moving relevant files to the scratch-directory and back to the home directory after a calculation has completed. A couple of examples of input files are also provided. Finally, the different output files generated by the program are discussed.



Subsections

Dalton Manual - Release 1.2.1