Vaishali Nimbewal

3 Questions 6 Answers 0 Followers

Questions related from Vaishali Nimbewal

How to apply electric field in quantum espresso code?

I want to study the effect of electric field on monolayer TMD. Can anyone help what are the flags to be used to apply electric field and how to define polarization direction to apply in parallel...

20 October 2021 2,470 5 View

What rotational matrix should we use to convert a hexagonal unit cell into sqrt(3) x sqrt(3) x 1 supercell ?

I want to create a supercell of PtS2 ie. sqrt(3) x sqrt(3) x 1.

01 January 1970 2,090 2 View

How to ceate a sqrt(5) x sqrt(5) x 1 supercell of Transition metal dichalcogenide monolayer?

I want to create a supercell of monolayer PtS2. Can you help me with how to do this using VESTA or any other application.

01 January 1970 7,365 3 View