Shivani Saini

2 Questions 4 Answers 0 Followers

Questions related from Shivani Saini

How to calculate transport parameters using BoltzTrap code?

I am using BoltzTrap-1.2.5, while running {x_trans BoltzTrap} command i got error message ================ BoltzTraP vs 1.2.5 ============= COULD NOT OPEN FILE 5 STOP ERROR IN...

01 January 2019 7,642 0 View

how to address problem encountered during nscf calculation in quantum espresso?

Dear user, I am trying to calculate nscf for a 2D material using qe -6.3. The structure get relaxed and scf is also seems to fine. While calculating the nscf, the calculation stopped with an...

01 January 2019 3,924 2 View