OFIELD A: Difference between revisions

From VASP Wiki
No edit summary
No edit summary
 
Line 13: Line 13:
----
----


[[Category:INCAR tag]][[Category:Molecular dynamics]][[Category:Advanced molecular-dynamics sampling]][[Category:Interface pinning]]
[[Category:INCAR tag]][[Category:Advanced molecular-dynamics sampling]]

Latest revision as of 11:48, 16 October 2024

OFIELD_A = [real] 

Description: The tag OFIELD_A sets the desired order parameter [math]\displaystyle{ Q_6 }[/math] in the Interface pinning method.


The bias potential in the Interface pinning method is written as

[math]\displaystyle{ U_\text{bias}(\mathbf{R}) = \frac\kappa2 \left(Q_6(\mathbf{R}) - A\right)^2 }[/math].

The tag OFIELD_A sets the desired value of the order parameter [math]\displaystyle{ A }[/math].

Related tags and articles

Interface pinning, OFIELD_Q6_NEAR, OFIELD_Q6_FAR, OFIELD_KAPPA

Examples that use this tag