Priyanka Garg

8 Questions 4 Answers 0 Followers

Questions related from Priyanka Garg

What is the underlying reason behind the charge carrier (electron and hole) separation in one dimesional system?

In general, one dimensional nanostructure materials show less possibility of electron and hole recombination because of charge carrier separation. I have read that in some 1D system electrons...

11 November 2017 3,529 0 View

How to plot work function plot for nanotube in vasp?

I did work function calculation for nanotube in vasp. I am using locplot script for plotting the electrostatic potential graph. I have doubt that does this script properly work for nanotube or...

08 August 2017 3,344 0 View

Can anyone tell that the total electron density is the representation of total electrons or valence electrons?

When we plot the CHGCAR in VESTA the representation shows the electron density. My doubt is that is it the representation of total electrons or valence electron?

02 February 2016 7,101 4 View

How can I use dosanalyze.pl ?

I want to calculate the d-band center of Pt(111) surface. I am using the VTST script of Henkelman's group. Can anyone tell me how to use the dosanlaze.pl using LORBIT=11. Supppose, I have 5 atoms...

12 December 2015 9,400 1 View

What is the pKa value of methanol, water and HCl in acetonitrile solvent ?

I can't find this if anyone know this, so please help me.

07 July 2015 2,841 0 View

How can I insert more images between two images in NEB calculation (in VASP) ?

First I insert 4 images, the results reveal 02 image is the highest energy. I choose the 02 and 03 structures, then insert 4 images between them. After adding 4 more images between 02 and 03 the...

06 June 2015 7,228 1 View

How does biaxial strain applied on a system?

Is biaxial strain apply on x and y direction? or it is different . Please anybody clear this doubt.

05 May 2015 7,706 2 View

How can i get the cif files of all allotropes of boron?

I have cif file of alfa-boron only which I got from this link" https://github.com/cryos/avogadro/blob/master/crystals/elements/B-Boron.cif" but I need the cif files of all allotropes of boron .Is...

05 May 2015 4,374 3 View