Markus Becker

2 Questions 8 Answers 0 Followers

Questions related from Markus Becker

OpenMP Implementation for Quantum Espresso on Multicore-CPU?

Dear Colleagues, I want to enable OpenMP multithreading for the Quantum Espresso code on my multicore CPU. After doing several attempts for the compilation with ./configure --enable-openmp, there...

30 October 2021 6,842 6 View

Why is vc-relax not giving any change in of lattice parameter or atomic positions of SrTiO3?

I'm trying to calculate the vc-relax the equilibrium structures of perovskite compounds like SrTiO3. I also worked through several tutorials how to do calculations with Quantum Espresso and in...

11 August 2016 5,901 9 View