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minor change

Anthony Scemama 2016-01-26 01:26:52 +01:00
parent 87f7a9b5bf
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Tutorial.md

@ -36,7 +36,7 @@ Now, this `xyz` file is used to generate an `EZFIO` input directory using the ``
[-d float] Add dummy atoms. x * (covalent radii of the atoms) [-d float] Add dummy atoms. x * (covalent radii of the atoms)
[-m int] Spin multiplicity (2S+1) of the molecule. Default is 1. [-m int] Spin multiplicity (2S+1) of the molecule. Default is 1.
[-o file] Name of the created EZFIO file. [-o file] Name of the created EZFIO file.
[-p] Using pseudopotentials [-p string] Using pseudopotentials
``` ```
To generate ``hcn.ezfio`` in the 6-31G basis set, we use:: To generate ``hcn.ezfio`` in the 6-31G basis set, we use::