CONTCAR disp-N

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Revision as of 10:23, 5 February 2026 by Csheldon (talk | contribs) (Created page with "The {{TAG|CONTCAR_disp-N}} file is an output file of a split finite differences calculation that contains the structural information of the ''N''th displacement. {{Available|6.6.0}} This file has the same format as the {{FILE|CONTCAR}} or {{FILE|POSCAR}} file. It is typically generated alongside the {{FILE|vaspcheckfd.hdf5}} file by setting {{TAG|CHECKPOINT|PREPARE}}. T...")
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The CONTCAR_disp-N file is an output file of a split finite differences calculation that contains the structural information of the Nth displacement.

Mind: Available as of VASP 6.6.0

This file has the same format as the CONTCAR or POSCAR file. It is typically generated alongside the vaspcheckfd.hdf5 file by setting CHECKPOINT = PREPARE. The CONTCAR_disp-N file can be renamed and used as the POSCAR input for a subsequent displacement calculation, e.g., CHECKPOINT = SINGLE.

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