package:ase:start
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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, | ASE parameters. CP-PAW tools like paw_do, paw_dosplot, | ||
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+ | === Documentation === | ||
[[https:// | [[https:// | ||
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+ | Manual/ | ||
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+ | === Examples === | ||
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+ | 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. | ||
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+ | [[package: | ||
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+ | [[package: | ||
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package/ase/start.1667557279.txt.gz · Last modified: 2022/11/04 10:21 by pkaiser