Homnath Luitel

3 Questions 13 Answers 0 Followers

Questions related from Homnath Luitel

Is there any free GUI mode softwares packeges for DFT calculations?

Hello every one! I want to know whether there are some free GUI mode DFT software packages like MedeA VASP. Thank you in advance.

11 November 2017 9,949 8 View

Can anybody suggest how to calculate the chemical potential of an element using VASP?

I want to calculate the defect formation energy for different systems with defects (both for atomic vacancies and doping impurity) using VASP. I have found some papers from Physical Review...

11 November 2017 6,437 5 View

How to construct a super cell using abinit?

I am trying to build a super cell for ZnO and TiO2 using input variables, natrd =2 , nobj = 1 , nobjaat = 1 2 abjaat = 2 2 1 (for 2*2*1 super cell). But, at the time of compilation it is giving...

05 May 2016 6,875 3 View