Dilshod D. Nematov

2 Questions 2 Answers 0 Followers

Questions related from Dilshod D. Nematov

How to tune INCAR parameters (especially NPAR and NCORE) to speed up VASP calculations ? ?

Hello. I have a computer with 16 cores in one node. In 4 of these cores, I performed electronic property calculations using the Wien2k package. In the remaining 12 cores, I want to run 2 new...

17 April 2022 2,124 3 View

How to properly optimize the structure and simulate the effect of Ag on the electronic structure of CdTe in the Wien2k package ?

Hello everybody. I want to simulate the effect of Ag on the structure and electronic properties of CdTe. For this, I chose the cubic structure of CdTe and calculated the electronic properties in...

17 September 2021 9,540 3 View