Elisa Founda

4 Questions 4 Answers 0 Followers

Questions related from Elisa Founda

How is the computational cost of GGA+U calculation?

I would like to do GGA+U cal in VASP, I wonder how long it will takes compared to GGA

05 May 2016 4,750 3 View

How to calculate the 111 uniaxial strain effect on Si using VASP?

if I have a primitive cell of Si, how can I calculate the uniaxial strain effet along 111 direction? Moreover, how to add the poison effect?

05 May 2016 1,520 1 View

How to do LDA+U calculation fof Ge and Sn in VASP?

I wonder how is the input parameter in INCAR file in order to do LDA+U calculation that results appropriate band structure for Ge and Sn

10 October 2015 7,828 0 View

Why can the energy gap at gamma point of Germanium be reduced faster than its L point gap under tensile strain?

Based on some papers, Germanium can be converted to direct gap by applying tensile, it is because Gamma conduction energy can be lowered faster than its L conduction energy. Why gamma energy can...

09 September 2015 3,718 3 View