Hussein Ali Jan Miran

2 Questions 6 Answers 0 Followers

Questions related from Hussein Ali Jan Miran

Is there anyone who can help to calculate the electronic band gap of PrO2 by VASP software ?

Is there anyone who can help to calculate the electronic band gap of PrO2 by VASP software ? If there is, then can he or she share me the INCAR file ?

03 March 2019 388 1 View

Can anyone tell me how to obtain symmetry group for example, C2v, D2d, C1, C2h, D2h,etc. using Dmol3 code?

Hello colleagues, I'm trying to optimize a molecule with different symmetries can anyone tell me how to obtain symmetry group for example, C2v, D2d, C1, C2h, D2h,etc. using dmol3 code ? Thanks...

03 March 2016 1,057 0 View