NBLOCK: Difference between revisions

Revision as of 10:41, 20 March 2017

NBLOCK = [integer]
Default: NBLOCK = 1

Description: after NBLOCK ionic steps the pair correlation function and the DOS are calculated and the ionic configuration will be written to the XDATCAR-file

In addition

NBLOCK controls how often the kinetic energy is scaled if SMASS=-1.

After KBLOCK*NBLOCK main loops the averaged pair correlation function and DOS are written to the files PCDAT and DOSCAR

Mind: The CPU costs for these tasks are quite small, so use NBLOCK=1.

Related Tags and Sections

KBLOCK

Examples that use this tag

Contents

@@ Line 15: / Line 15: @@
 {{TAG|KBLOCK}}
-== Example Calculations using this Tag ==
+{{sc|NBLOCK|Examples|Examples that use this tag}}
-{{TAG|liquid Si}}, {{TAG|vibrational frequencies of CO on Ni 111 surface}}
 ----
 [[The_VASP_Manual|Contents]]
 [[Category:INCAR]][[Category:Dynamics]]