CP2K Open Source Molecular Dynamics

User Tools

Site Tools

Trace:
exercises:common:neb

Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revisionPrevious revision
Last revisionBoth sides next revision
exercises:common:neb [2022/09/08 21:16] – [Nudged elastic band] jglanexercises:common:neb [2022/09/08 21:16] – jglan
Line 4: Line 4:
 Manual see: [[https://manual.cp2k.org/cp2k-2022_1-branch/CP2K_INPUT/MOTION/BAND.html | %MOTION%BAND]] Manual see: [[https://manual.cp2k.org/cp2k-2022_1-branch/CP2K_INPUT/MOTION/BAND.html | %MOTION%BAND]]
  
-Please read and cite if use the following methods: +Reference: 
  
 [[https://aip.scitation.org/doi/10.1063/1.1323224 | J. Chem. Phys. 113, 9978 (2000)]] for IT-NEB; [[https://aip.scitation.org/doi/10.1063/1.1323224 | J. Chem. Phys. 113, 9978 (2000)]] for IT-NEB;
exercises/common/neb.txt · Last modified: 2022/09/08 21:16 by jglan