Kamal Assiouan

4 Questions 3 Answers 0 Followers

Questions related from Kamal Assiouan

How to calculate band gap alignment for different layers used in double perovskite solar cell ?

I want to compare the bands of a double perovskite material with those of materials that transport both holes and electrons. We can find the position of the VB edge experimentally using methods...

14 February 2024 7,953 2 View

Problem with the HSE calculation using the Quantum ESPRESSO code?

When I calculate the self-consistent field (SCF) using the hybrid functional (HSE), the calculation stopped without crashing, and the following line appeared at the end: 'Using ACE for...

07 April 2023 9,000 2 View

How to determine goldschmidt tolerance factor for double perovskite?

There is a lot of value in the ionic radius of atoms, so how we can choose the best one ?, for example for In3+ the ionic radius R=0.81 or 0.94

13 October 2022 6,474 2 View

How to solve problem in phonon dispersion calculation in Quantum ESPRESSO?

I am trying to calculate phonon dispersion for a system. When I run ph. x, it generates 8 q-points, but the calculation takes 12 min with HPC, and in the output, I have only dyn0, dyn1, and dyn3....

22 April 2022 7,812 2 View