CP2K Open Source Molecular Dynamics

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faq:kpoints [2016/11/15 13:22] – 129.215.62.120faq:kpoints [2016/11/16 11:36] – ibethune
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   * Forces and stresses are implemented (but not well tested).  In principle geometry/cell optimisation and MD should work (see restrictions below).   * Forces and stresses are implemented (but not well tested).  In principle geometry/cell optimisation and MD should work (see restrictions below).
   * MONKHORST-PACK, MACDONALD and GENERAL explicit k-point grids may be used   * MONKHORST-PACK, MACDONALD and GENERAL explicit k-point grids may be used
-  * Printing of eigenvalues per k-point / band structures is not yet implemented+  * Printing of eigenvalues per k-point / band structures
  
 ==== Restrictions ==== ==== Restrictions ====
faq/kpoints.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1