Getting Started with AMSΒΆ

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
../_images/preview38.png

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

Getting started: Geometry optimization of ethanol
../_images/preview39.png

Keywords: ADF, DFT, building molecules, geometry optimization, orbital, energy levels, electron density

GUI tour: UV/Vis spectrum of ethene
../_images/preview40.png

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
../_images/4_3.png

Keywords: GUI, command-line, Python

Run Jobs from the Command Line
../_images/preview41.png

Keywords: Command-line, terminal, shell script, run script, run file

Run Jobs with Jupyter Notebooks
../_images/run-ams-job.png

Keywords: Jupyter notebook, Python, PLAMS