Naiwrit Karmodak

3 Questions 5 Answers 0 Followers

Questions related from Naiwrit Karmodak

How to control temp. fluctuation and restarting Ab-initio MD in VASP ?

How the sigma value monitors the fluctuations in the temperature during MD. Does it mean, increasing sigma value allows the fluctuation near the expected temp. I would like to know how to control...

11 July 2016 1,042 7 View

What is the effect of adding Temperature Factors for atoms in a solid?

While creating a unit cell within Materials studio, there is an option in add atom window that contains temperature factors. While adding the atoms do we have to mention the isotropic or...

25 May 2014 5,734 5 View

What does the K-point density in solid states calculations mean?

What values are generally given?

02 May 2014 7,196 1 View