VASP-displace_10RC

VASP-displace version 1.0RC
MIT license, please see copyright description in the script, also.

Official web-page: http://alexandr-fonari.github.io/2013/05/24/displacing-atoms-along-normal-mode-VASP.html

Folders:
frequency-calc        - frequency calculation (vasprun.xml from this folder is required to obtain DISPCAR).
d-0.0                 - optimized geometry SCF.
d-0.1, d-0.5, d-1.0   - displaced geometries by 0.1, 0.5 and 1 characteristic length, respectively.

Files:
VASP-displace_10RC.pl - the script.
DISPCAR               - generated using VASP-displace_10RC.pl script. Atomic positions from this file are used in the displaced-geometries calculations.
README                - this file.
plot.txt              - listed energy differences vs. displacement
plot.pdf              - plot resulting from plot.txt

VASP-displace_10RC.tar.gz