Maya Kaur

3 Questions 8 Answers 0 Followers

Questions related from Maya Kaur

Size of Supercell ???

Hello all.. My question is regarding the size of a supercell for doping studies through DFT calculations.. Actually, I am dealing with a mono-layer and wish to see the effect of doping. For...

08 August 2021 8,200 5 View

Can anyone help me with the "Adsorption on various surfaces" using "CRYSTAL code"??

Hi everyone! Actually I wish to study adsorption of various atoms/molecules on surfaces using CRYSTAL code (only)..but not able to understand and control the complete input for the same. I mean...

05 October 2020 7,795 9 View

Space group and Layer group!??

Hello Everyone... Can anyone suggest me how to get the layer group, corresponding to any given space group. I mean if I know the space group of any crystal (3D)... How can I get the layer group...

15 June 2018 6,006 2 View