Baurzhan Salimzhanov

4 Questions 5 Answers 0 Followers

Questions related from Baurzhan Salimzhanov

Any free programs for front electrode grid optimization?

I want to optimize the front electrode grid for solar cells. I need a program to simulate\calculate FF as a function of electrode pattern, thickness, and the width of wires. It would be much...

30 November 2022 5,893 0 View

How to visualize output from Car-Parrinello MD by quantum espresso?

I am making CPMD of water. So I already made electronic and ionic relaxation and molecular dynamics. So how can I visualize my results? I tried cppp.x code, but it works until v.6.3 only. Is there...

16 May 2019 2,756 6 View

DFT: why is it important to use supercell in a study about water/material interface?

I want to study interface between water and metal. So I take unit cell and add 20A of vacuum and a water molecule on c-direction. My slab will be repeated in 3 dimensions and periodicity will...

23 April 2019 9,450 3 View

Why total energy not converge when value "ecutrho" increased in Quantum Espresso?

I'm optimizing surface of a material with norm-conserving PP. My ecut value is 50Ry, so because I'm using norm-conserving PP my ecutrho should be 200Ry. Meanwhile, because I calculate surface,...

19 April 2019 2,333 4 View