Getting Started with AMS

This is a set of hands-on tutorials for the graphical user interface (GUI) of the Amsterdam Modeling Suite.

  • Time required: About half an hour for each part.

  • Note: You may get slightly different results depending on hardware and software versions.

  • More information: GUI manual and list of keyboard shortcuts.

GUI modules
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Keywords: AMSinput, AMSoutput, AMSview, AMSmovie, AMSlevels, logfile, AMSouptut, AMSspectra, BandStructure, AMSdos, KFBrowser, AMSjobs

Getting started: Geometry optimization of ethanol
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Keywords: ADF, DFT, building molecules, geometry optimization, orbital, energy levels, electron density

GUI tour: UV/Vis spectrum of ethene
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Keywords: ADF, UV/Vis, TDDFT, singlet and triplet excitation, orbital level, DOS, Natural Transition Orbitals (NTOs), Transition Density, excited state geometry optimization, export results

10 Ways to Get the Energy and Other Properties
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Keywords: GUI, command-line, Python

Run Jobs from the Command Line
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Keywords: Command-line, terminal, shell script, run script, run file

Run Jobs with Jupyter Notebooks
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Keywords: Jupyter notebook, Python, PLAMS