Radha N Somaiya

2 Questions 16 Answers 0 Followers

Questions related from Radha N Somaiya

How to perform Boltztrap calculations when using Vasp to perform DFT simulations?

Hello all, Need to know step wise how boltztrap calculations are carried out when using Vasp software for DFT calculations. Need help on this. Thankyou in advance.

02 March 2020 9,726 4 View

How to run simulations with ShengBTE to study electronic and lattice thermal conductivity?

Hello all, I am a Quantum espresso user and is aware of Boltztrap. But Boltztrap do not give us lattice thermal conductivity.!!! I found another code ShengBTE which gives this value but somehow...

09 June 2019 4,315 9 View