Priyanka Garg

5 Questions 5 Answers 0 Followers

Questions related from Priyanka Garg

How could I analyze the eigenvectors of the soft modes?

I did phonon dispersion by using Phonopy codes. I got some small imaginary frequency for my system.How could I analysis the eigenvectors of the soft modes and relax the structure accordingly to...

08 December 2016 9,827 5 View

How to calculate piezoelectric tensor in vasp?

I want to calculate the piezoelectric tensor, so I have used LEPSILON=true in INCAR. Is this tag is working without giving strain on the system? or there is another method to calculate the...

04 June 2016 5,485 3 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...

25 December 2015 4,966 1 View

Which one is more appropriate ISIF4 or ISIF2 for stress strain calculation?

I tried to do stress strain by taking both ISIF4 or ISIF2 ,but i have doubt which one is suitable for this.

29 June 2015 1,989 1 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...

13 June 2015 8,130 1 View