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faq:kpoints [2016/01/21 10:22] – ibethunefaq:kpoints [2016/01/21 10:26] – [Restrictions] 130.60.136.208
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   * Printing of eigenvalues per k-point / band structures is not yet implemented   * Printing of eigenvalues per k-point / band structures is not yet implemented
-  * Restarting calculations is not available 
   * Propagation of the wavefunctions/density is not implemented (so [[inp>FORCE_EVAL/DFT/QS.html#EXTRAPOLATION|EXTRAPOLATION]] should be USE_GUESS )   * Propagation of the wavefunctions/density is not implemented (so [[inp>FORCE_EVAL/DFT/QS.html#EXTRAPOLATION|EXTRAPOLATION]] should be USE_GUESS )
   * MO derivatives are not available - i.e. OT with k-points is not supported, only DIAGONALIZATION.   * MO derivatives are not available - i.e. OT with k-points is not supported, only DIAGONALIZATION.
   * Only FULL_GRIDs of kpoints may be used, no reduction due to symmetry is supported.   * Only FULL_GRIDs of kpoints may be used, no reduction due to symmetry is supported.
faq/kpoints.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1