CONTCAR disp-N: Difference between revisions

Latest revision as of 07:32, 12 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 file

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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.
+{{DISPLAYTITLE:CONTCAR_disp-N}}
+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}}
-This file has the same format as the {{FILE|CONTCAR}} or {{FILE|POSCAR}} file.
-It is typically generated alongside the {{FILE|vaspcheckfd.h5}} file by setting {{TAG|CHECKPOINT_FD|PREPARE}}.
-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}}.
 == Related tags and articles ==
-* {{TAG | CONTCAR}}
+{{FILE|CONTCAR}}, {{FILE|POSCAR}}, {{FILE|vaspcheckfd.h5}}, {{TAG|CHECKPOINT_FD}}
-* {{TAG | POSCAR}}
-* {{FILE | vaspcheckfd.h5}}
-* {{TAG | CHECKPOINT_FD}}
-* [[Construction:Restarting finite differences calculations]]
-----
+[[Restarting finite differences calculations]]
+{{sc|CONTCAR_disp-N|HowTo|Workflows that use this file}}
-<!--[[Category:Files]][[Category:Output files]]-->
+[[Category:Files]][[Category:Output files]]