Project ID: plumID:21.041
Name: Nucleating a Different Coordination in a Crystal under Pressure. A Study of the B1−B2 Transition in NaCl by Metadynamics
Archive: https://zenodo.org/record/5561210/files/PLUMED_Input_Template-arXiv-2105.02036.zip
Category: methods
Keywords: metadynamics, structural phase transitions, pressure-induced phase transition, martensitic transitions
PLUMED version: 2.5
Contributor: Matej Badin
Submitted on: 07 Oct 2021
Publication: M. Badin, R. Martoňák, Nucleating a Different Coordination in a Crystal under Pressure: A Study of the B1−B2 Transition in NaCl by Metadynamics, Physical Review Letters 127 (2021)

PLUMED input files

File Compatible with
plumed.dat tested on v2.8 tested on master

Last tested: 30 Nov 2021, 15:06:35

Project description and instructions
A template input file for PLUMED enabling the use of NPT metadynamics scheme proposed in Phys. Rev. Lett. 127, 105701 (2021) for studies of pressure-induced phase transitions using coordination number and volume as collective variables.

Submission history
[v1] 07 Oct 2021: original submission

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plumeDnest:21.041