4 Questions 2 Answers 0 Followers
Questions related from M Esakkimuthu Raju
I am already using Quantum espresso. Now I want to calculate the elastic constant using the Elastic code. Can anyone suggest the way to do it?
02 February 2015 2,724 1 View
When I am trying to find the theoretical value of Fermi energy of TiO2, I got 9.9520 ev (for crystal). Can anyone tell me what is the exact value of TiO2 ?
08 August 2014 6,542 1 View
I am trying to prepare an input file in the quantum espresso. I want to know how the atomic positions and k points can be described. For example, if I want to do the calculations for Al doped ZnO?
04 April 2014 5,241 1 View
I have downloaded quantum espresso v5.0.2 and as per the users doc I have installed it. when I am trying to run si.scf.in using pw.x command I am getting STOP 2 in terminal. As I am a new user...
03 March 2014 9,489 2 View
