Sridevi Krish

2 Questions 3 Answers 0 Followers

Questions related from Sridevi Krish

How to generate a incommensurate Supercell POSCAR for VASP?

Hello All, I have a 1x1x1 POSCAR, I need o make a 3 square root 3X1X1 supercell. I understand VESTA cannot make it, are there online tools available for generating this? I have attached my...

26 October 2016 8,555 4 View

I am a VASP beginner, I am doing the VASP hands-on tutorials, For FCC Si, I am not getting the converged result! What is going wrong here?

I get this error when I try to run it on the cluster"Error EDDDAV: Call to ZHEGV failed. Returncode = 63 2 64" I haven't modified any of the INPUT files whatsoever! Can Someone help me understand...

28 April 2016 8,377 20 View