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faq:kpoints

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faq:kpoints [2016/11/15 13:22]
129.215.62.120
faq:kpoints [2016/11/16 11:36] (current)
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 ยท Last modified: 2016/11/16 11:36 by ibethune