Deep Choudhuri

3 Questions 9 Answers 0 Followers

Questions related from Deep Choudhuri

What is the issue with my JEMS diffraction simulation software?

I am trying to simulate a precipitate phase (P-62m) within a hcp matrix (P6_3mmc). Even though, I am giving the correct orientation relation , JEMS output (simulated diffraction pattern of 0001...

06 August 2014 986 4 View

How are interfaces created for VASP-DFT calculations ?

I am trying to calculate the interfacial energy between two crystalline phases. Any guidance in this matter will be very helpful.

31 July 2014 7,683 3 View

Can somebody suggest consistency checks for elastic constants calculated using DFT-VASP?

Other than comparing the numerical values to experimental data , are there any other ways to ensure that I am getting correct values?I am a novice in DFT calculations, any help in this matter will...

23 July 2014 3,620 11 View