CONTCAR disp-N: Difference between revisions
m Csheldon moved page Construction:CONTCAR disp-N to CONTCAR disp-N |
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This file has the same format as the {{FILE|CONTCAR}} or {{FILE|POSCAR}} file. | This file has the same format as the {{FILE|CONTCAR}} or {{FILE|POSCAR}} file. | ||
It is typically generated alongside the {{FILE|vaspcheckfd. | 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}}. | 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}}. | ||
Revision as of 11:04, 19 February 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.
| 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.h5 file by setting CHECKPOINT_FD = PREPARE.
The CONTCAR_disp-N file can be renamed and used as the POSCAR input for a subsequent displacement calculation, e.g., CHECKPOINT_FD = SINGLE.
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