Ranjitha Ramachari

2 Questions 2 Answers 0 Followers

Questions related from Ranjitha Ramachari

How to do structural optimization with quantum ESPRESSO?

For the structure attached below , i need to do structural optimization with quantum espresso.I am the beginner of quantum espresso.please provide references

20 July 2016 4,383 4 View

How can i build co2 hydrate which is of structure typeS-I (tetradecahedron) ? Is there any cif file available or do i need to use any software ?

Hello, i am working on structure of co2 hydrates.These hydrates are formed at lower temperatures and at lower energy levels these will get stabilize.To find the lowest energy level i need to run...

24 June 2016 6,002 2 View