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tools:cp2k-basis

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cp2k-basis: Browse basis sets and Pseudopotentials

A library to parse CP2K basis sets and GTH pseudopotentials, which also comes with a webserver to find out and select a basis set and its matching pseudopotential for your CP2K calculations. More details here.

tools/cp2k-basis.1675285062.txt.gz · Last modified: 2023/02/01 20:57 by oschuett