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package:ase:start [2022/11/04 10:04] – pkaiserpackage:ase:start [2022/11/04 10:27] – pkaiser
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 The AseCppaw interface integrates CP-PAW as calculator into the Atom Simulation Environment (ASE). CP-PAW input files can be created and manipulated from The AseCppaw interface integrates CP-PAW as calculator into the Atom Simulation Environment (ASE). CP-PAW input files can be created and manipulated from
  ASE parameters. CP-PAW tools like paw_do, paw_dosplot, paw_wave and paw_show can be executed within python and the graphical output changed with matplotlib arguments.  ASE parameters. CP-PAW tools like paw_do, paw_dosplot, paw_wave and paw_show can be executed within python and the graphical output changed with matplotlib arguments.
 +
 +=== Documentation ===
 +
 +[[https://www.kaiserserver.de/AseCppawDoc/index.html|Documentation]]
 +
 +Manual/documentation createt with Doxygen
 +
 +=== Examples ===
 +
 +Example oriented on Chapter 2 of the CP-PAW Hands-On Course on First-Principles Calculations. It covers the same content while showing different ways how to use the AseCppaw interface.
 +
 +[[package:ase:example_c2|CP-PAW Hands-On Course Chapter 2 example]]
 +
  
package/ase/start.txt · Last modified: 2023/01/25 13:35 by pkaiser
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