NSW: Difference between revisions

From VASP Wiki
No edit summary
No edit summary
Line 6: Line 6:


== Example Calculations using this Tag ==
== Example Calculations using this Tag ==
{{TAG|Beta-tin Si}}, {{TAG|Cd Si relaxation}}, {{TAG|Cd Si volume relaxation}}, {{TAG|CO}}, {{TAG|CO on Ni 111 surface}}, {{TAG|CO Vibration}}, {{TAG|Collective jumps of a Pt adatom on fcc-Pt (001): Nudged Elastic Band Calculation}}, {{TAG|Graphite interlayer distance}}, {{TAG|Graphite MBD binding energy}}, {{TAG|Graphite TS binding energy}}, {{TAG|H2O}}, {{TAG|H2O molecular dynamics}}, {{TAG|H2O vibration}}, {{TAG|liquid Si}}, {{TAG|Ni 100 surface relaxation}}, {{TAG|O dimer}}, {{TAG|Vibrational frequencies of CO on Ni 111 surface}}
{{TAG|Beta-tin Si}}, {{TAG|Cd Si relaxation}}, {{TAG|Cd Si volume relaxation}}, {{TAG|CO}}, {{TAG|CO on Ni 111 surface}}, {{TAG|CO vibration}}, {{TAG|Collective jumps of a Pt adatom on fcc-Pt (001): Nudged Elastic Band Calculation}}, {{TAG|Graphite interlayer distance}}, {{TAG|Graphite MBD binding energy}}, {{TAG|Graphite TS binding energy}}, {{TAG|H2O}}, {{TAG|H2O molecular dynamics}}, {{TAG|H2O vibration}}, {{TAG|liquid Si}}, {{TAG|Ni 100 surface relaxation}}, {{TAG|O dimer}}, {{TAG|Vibrational frequencies of CO on Ni 111 surface}}
----
----
[[The_VASP_Manual|Contents]]
[[The_VASP_Manual|Contents]]


[[Category:INCAR]][[Category:Dynamics]]
[[Category:INCAR]][[Category:Dynamics]]

Revision as of 09:34, 16 February 2017

NSW = [integer]
Default: NSW = 0 

Description: NSW sets the maximum number of ionic steps.


Mind: Within each ionic step at most NELM electronic-SC loops are performed unless the EDIFF convergence criterium is matched before. Exact Hellmann-Feynman forces and stresses are calculated for each ionic step.

Example Calculations using this Tag

Beta-tin Si, Cd Si relaxation, Cd Si volume relaxation, CO, CO on Ni 111 surface, CO vibration, Collective jumps of a Pt adatom on fcc-Pt (001): Nudged Elastic Band Calculation, Graphite interlayer distance, Graphite MBD binding energy, Graphite TS binding energy, H2O, H2O molecular dynamics, H2O vibration, liquid Si, Ni 100 surface relaxation, O dimer, Vibrational frequencies of CO on Ni 111 surface


Contents