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CONTCAR disp-N: Difference between revisions

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The {{TAG|CONTCAR_disp-N}} file is an output file of a [[Construction:Restarting_finite_differences_calculations#Splitting_a_finite_difference_calculation|split finite differences calculation]] that contains the structural information of the ''N''th displacement.
The {{FILE|CONTCAR_disp-N}} file is an output file of a [[Restarting_finite_differences_calculations#Splitting_a_finite_difference_calculation|split finite differences calculation]] that contains the structural information of the ''N''th displacement. It has the same format as the {{FILE|CONTCAR}} or {{FILE|POSCAR}} file.
{{Available|6.6.0}}
{{Available|6.6.0}}


This file has the same format as the {{FILE|CONTCAR}} or {{FILE|POSCAR}} file.
== Related tags and articles ==
It is typically generated alongside the {{FILE|vaspcheckfd.h5}} file by setting {{TAG|CHECKPOINT_FD|PREPARE}}.
{{FILE|CONTCAR}}, {{FILE|POSCAR}}, {{FILE|vaspcheckfd.h5}}, {{TAG|CHECKPOINT_FD}}
The {{FILE|CONTCAR_disp-N}} file can be renamed and used as the {{FILE|POSCAR}} input for a subsequent displacement calculation, e.g., {{TAG|CHECKPOINT_FD|SINGLE}}.
 
[[Restarting finite differences calculations]]


== Related tags and articles ==
{{sc|CONTCAR_disp-N|HowTo|Workflows that use this tag}}
* {{TAG | CONTCAR}}
* {{TAG | POSCAR}}
* {{FILE | vaspcheckfd.h5}}
* {{TAG | CHECKPOINT_FD}}
* [[Construction:Restarting finite differences calculations]]


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[[Category:Files]][[Category:Output files]]
<!--[[Category:Files]][[Category:Output files]]-->

Revision as of 14:19, 11 March 2026

The CONTCAR_disp-N file is an output file of a split finite differences calculation that contains the structural information of the Nth displacement. It has the same format as the CONTCAR or POSCAR file.

Mind: Available as of VASP 6.6.0

Related tags and articles

CONTCAR, POSCAR, vaspcheckfd.h5, CHECKPOINT_FD

Restarting finite differences calculations

Workflows that use this tag

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