Varsha Jain

2 Questions 4 Answers 0 Followers

Questions related from Varsha Jain

Is there any other software available for plotting LDOS and PDOS apart from p4Vasp ?

I am interesting to see LDOS for specific atoms of adsorbates before and after adsorption.

01 January 2018 330 1 View

How can I enter 100 water molecules above the catalyst surface inside the hexagonal box (with angles of 90, 90 and 120) for AIMD simulations?

I tried to generate these water molecules through editconf and insert-moecules tool of gromacs and packmol but water molecules are getting packed as rectangular shape only above the surface.

02 February 2017 5,791 5 View