8 Questions 16 Answers 0 Followers
Questions related from Abhinav Nag
Hello, Is anyone using Boltztrap in parallel. because by default it runs only using single cores. So is anyone running it using mpirun or any other parallel enviroment. If yes then please...
09 September 2019 4,297 2 View
Dear All.I was running nscf calculation for CaTe. The calculation went well during the scf run. However, or nscf my job crashed with the...
06 June 2017 3,821 2 View
Hello All, Iam studying a system which is dirac semi-metal. I want to see the Dirac cone and need to know if somebody know how we can do that using Quantum espresso. I can do the band structure...
03 March 2017 1,173 5 View
Hello Everyone, Iam doing calculations for GaAs using quantum espresso with libxc functional tb09. As dft underestimate the band gap so thats why Iam usinf tb09 functional for this case but while...
03 March 2016 5,889 0 View
Hello everyone, Iam done with the band strucutre calculations ad I got the practice material online but I want to understand about the input file for plotband.x. So please make me understand that...
11 November 2015 4,701 9 View
Hello Everyone, Iam doing calculation on Au monolayer. Thanks to everyone who trained me for monolayer input file. Now I need help related to degauss value . I have done with some calculations and...
11 November 2015 2,462 12 View
Hello everyone, I want to know about that how the Exciton binding energy is important for selecting the material for opto-electronic applications. Thanks, Abhinav Nag
11 November 2015 8,367 3 View
Hello everyone, Using Quantum espresso , I tried for Na3Bi calculations using Full relativistic Pseudopotential but everytime Iam getting error as "Unable to allocate memory" . I used every trick...
11 November 2015 640 9 View
