- #1
Dita Puspita
Hi Guys,
I am Dita.
I start to calculate the band structure of organic material using VASP software.
And I am confused about K-POINTS/ K-Vector that I have to set. For example Gamma is (0,0,0); X is (0.5, 0, 0). X' is (-0.5, 0, 0). But what is X''?
I am Dita.
I start to calculate the band structure of organic material using VASP software.
And I am confused about K-POINTS/ K-Vector that I have to set. For example Gamma is (0,0,0); X is (0.5, 0, 0). X' is (-0.5, 0, 0). But what is X''?